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6 May 2024: university of cambridge. SROT. SROT. SROT a b c d theta. This command must be followed by four integers and a floating point number. The integers are atom numbers that define a torsion bond. This bond must not be cyclic, although the program does

6 May 2024: university of cambridge. alphabetical list of countries. c2k - Alphabetical List of Countries. Total number of countries: 138. Total number of departments: 1857. Democratic Republic of the Congo 1. United States of America 642. Zimbabwe 1. Goodman

6 May 2024: university of cambridge. FLIP. FLIP. FLIP. a b c d e. FLIP. must be followed by five integers, defining how a chiral centre is to be changed. The first integer is the atom number of the centre to be inverted, the second and third are two atoms which

6 May 2024: university of cambridge. countries in order of number of departments. c2k - Countries in Order of Number of Departmnets. Total number of countries: 138. Total number of departments: 1857. United States of America 642. Democratic Republic. of the

6 May 2024: university of cambridge. cyclohexa 1,3 diene. SMILES. C1=CCCC=C1. Canonical SMILES. C1CC=CC=C1. InChI. InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2.

6 May 2024: university of cambridge. DROT. DROT. DROT a b c d theta1 theta2. This command does a crude conformation search, systematically twisting around two torsion angles. Twist a-b in increments of Theta1 and c-d in increments of Theta2 to create all

6 May 2024: university of cambridge. cyclohexa 1,4 diene. SMILES. C1C=CCC=C1. Canonical SMILES. C1C=CCC=C1. InChI. InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2. AuxInfo=1/0/N:2,3,1,4,6,5/E:(1,2,5,6)(3,4)/rA:6nCCCCCC/rB:s1;d2;s3;s4;s1d5;/rC:-.7145,.4125,0;-.7145,-

6 May 2024: university of cambridge. cyclooctene (trans). SMILES. C1=CCCCCCC/1. Canonical SMILES. C1CCCC=CCC1. InChI. InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1+. AuxInfo=1/0/N:1,2,3,4,5,7,6,8/E:(1,2)(3,4)(5,6)(7,8)/rA:8nCCCCCCCC/rB:d1;s1;s2;s3;s5;s4;s6s7

6 May 2024: university of cambridge. notes for new users. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Notes for New Users. Your account will give you

6 May 2024: university of cambridge. index of names. Goodman Group, 2005-2024; privacy; last updated May 6, 2024.

6 May 2024: university of cambridge. List of structures. Goodman Group, 2005-2024; privacy; last updated May 6, 2024.

6 May 2024: university of cambridge. methylcyclohexane. SMILES. CC1CCCCC1. Canonical SMILES. CC1CCCCC1. InChI. InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3.

6 May 2024: university of cambridge. Solubility Simulator. Solubility Simulator. Sorry, your browser does not support Java. Enter values for either Si (intrinsic solubility) or Saq (aqueous solubility), for Ka (compulsory), and for either Kw or the temperature

6 May 2024: university of cambridge. RRF. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Root Rational Fraction Program (RRF). A calculator program for

6 May 2024: university of cambridge. metolachlor. Alternate names aS,5S metolachlor. Notes Metolachlor is a pesticide which has a chiral centre and also shows axial chirality. The latter does no appear to have a big effect on its activity, but the S form is

6 May 2024: university of cambridge. cycloctatetraene. SMILES. C1=C/C=CC=C/C=C1. Canonical SMILES. C1=CC=CC=CC=C1. InChI. InChI=1/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-.

6 May 2024: university of cambridge. general chemistry journals. General. Chemicke Zvesti; published under the auspices of the Slovak Academy of Sciences, the Slovak Chemical Society and the Faculty of Chemistry, Tomas Bata University, Zlin). was Chemistry in

6 May 2024: university of cambridge. indigo unix notes. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Indigo Unix Notes. Indigos run a windowing system,

6 May 2024: university of cambridge. tamiflu. Alternate names. oseltamivir. Literature. Tamiflu is a treatment for flu, which inhibits neuraminidase. Review:. The synthetic development of the anti-influenza neuraminidase inhibitor oseltamivir phosphate (Tamiflu)

6 May 2024: university of cambridge. sketchBINOL. How best to sketch BINOL, and BINOL-derived catalysts, to illustrate how its shape can transfer stereogenic information to substrates? The above diagram is consistent with the view of BINOL we have used in:. 2005

6 May 2024: university of cambridge. WRIT. WRIT. This command takes no arguments. It writes a structure to the output file in its current state. Every command file ends with an implicit. WRIT. , so there is no need to use this command unless the output file

6 May 2024: university of cambridge. artemisinin. SMILES. C[C@@H]1CC[C@]2([H])[C@]34[C@@]1([H])CC[C@@](OO4)(C)O[C@H]3OC([C@@H]2C)=O. Canonical SMILES. CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4. InChI. InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18

6 May 2024: university of cambridge. MInChI. The name MInChI now refers to the Mixture InChI. This Java code generates MInChI from InChI and vice versa. It may be used under the terms of the Artistic License. import java.io.; / This class turns an InChI string

6 May 2024: university of cambridge. mailing list. Mailing List. If you want to receive the latest information about 'Acca' send an E-mail to jmg11@cam.ac.uk with the word 'ACCA' in the subject line. You will then be E-mailed of major updates, and of bug-reports

6 May 2024: university of cambridge. JOIN. JOIN. JOIN a b c d e f maxdist. The. JOIN. command must be followed by six integers and one floating point number. The command takes two C-H bonds, and turns them into a C-C bond, if the carbon atoms are separated by

6 May 2024: university of cambridge. practical six: databases. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical Six: Databases. (1) Searching the

6 May 2024: university of cambridge. chemistry in the rest of the world. c2k - Chemistry in the Rest of the World. The Rest of the World. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. The

6 May 2024: university of cambridge. index of canonical SMILES. Goodman Group, 2005-2024; privacy; last updated May 6, 2024.

6 May 2024: university of cambridge. upgrade 1997. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Upgrade 1997. Some of the Silicon Graphics Teaching

6 May 2024: university of cambridge. cyclohexane (twist boat). SMILES. C1CCCCC1. Canonical SMILES. C1CCCCC1. InChI. InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2.

6 May 2024: university of cambridge. arachidonic acid. SMILES. CCCCC/C=CC/C=CC/C=CC/C=CCCCC(O)=O. Canonical SMILES. CCCCCC=CCC=CCC=CCC=CCCCC(=O)O. InChI.

6 May 2024: university of cambridge. examples. Examples. A simple FLIP command file. INFILE OUTFILE COMM This file will flip atom number 1, keeping 2 and 3 COMM unchanged and swapping 4 and 5. FLIP 1 2 3 4 5. A simple CHNG command file. INFILE OUTFILE COMM This

6 May 2024: university of cambridge. practical one: building molecules. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemical Information Laboratory. and this information is for historical interest only. Practical One: Building Molecules.

6 May 2024: university of cambridge. chemistry in europe. c2k - Chemistry in Europe. The Rest of Europe. This index and the programs used to maintain it are developed in the Goodman Group. All links checked: October 2019. The Rest of Europe. Albania.

6 May 2024: university of cambridge. arabinose (alpha pyranose). Alternate names arabinose. α-arabinose. SMILES. O[C@H]1[C@@H](O)[C@H](O)[C@H](O)CO1. Canonical SMILES. InChI. InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m1/s1.

6 May 2024: university of cambridge. arabinose (beta pyranose). Alternate names arabinose. β-arabinose. SMILES. O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)CO1. Canonical SMILES. InChI. InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m1/s1.

6 May 2024: university of cambridge. arabinose (alpha furanose). Alternate names arabinose. α-arabinose. SMILES. O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1O. Canonical SMILES. InChI. InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1.

6 May 2024: university of cambridge. arabinose (beta furanose). Alternate names arabinose. β-arabinose. SMILES. O[C@H]1[C@H](O)[C@@H](CO)O[C@@H]1O. Canonical SMILES. InChI. InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1.

6 May 2024: university of cambridge. dracorubin. SMILES. O=C1C(C)=C2C(C(O3)=C1)=C(C(C(O[C@H]([C@@]4=CC=CC=C4)CC5)=C5C(OC)=C6)=C6O2)C=C3C7=CC=CC=C7. Canonical SMILES. COc1cc2oc3c(C)c(=O)cc4oc(cc(c2c5OC(CCc15)c6ccccc6)c43)c7ccccc7. InChI. InChI=1/C32H24O5/c1-18-23

6 May 2024: university of cambridge. Genetic Code. Genetic Code. AAA Lys ACA Thr AGA Arg ATA Ile AAC Asn ACC Thr AGC Ser ATC Ile AAG Lys ACG Thr AGG Arg ATG Met/start AAT Asn ACT Thr AGT Ser ATT Ile CAA Gln CCA Pro CGA Arg CTA Leu CAC His CCC Pro CGC Arg CTC

6 May 2024: university of cambridge. Alanine. Sorry - your browser cannot display Java. Use the mouse to rotate the molecules. Hold down the 'shift' key and move the mouse to move them. Hold down the 'control' key and move the mouse to scale them. Goodman Group,

6 May 2024: university of cambridge. Argnine. Sorry - your browser cannot display Java. Use the mouse to rotate the molecules. Hold down the 'shift' key and move the mouse to move them. Hold down the 'control' key and move the mouse to scale them. Goodman Group,

6 May 2024: university of cambridge. Asparagine. Sorry - your browser cannot display Java. Use the mouse to rotate the molecules. Hold down the 'shift' key and move the mouse to move them. Hold down the 'control' key and move the mouse to scale them. Goodman

6 May 2024: university of cambridge. Cysteine. Cysteine. Sorry - your browser cannot display Java. Use the mouse to rotate the molecules. Hold down the 'shift' key and move the mouse to move them. Hold down the 'control' key and move the mouse to scale them.

6 May 2024: university of cambridge. printing. The Silicon Graphics Teaching Laboratory. has been replaced by the. Chemi cal Information Laboratory. and this information is for historical interest only. Printing. To print out files, use an ethernet connected

6 May 2024: university of cambridge. InChIKey Collision. Two isomers of spongistatin: One InChIKey. InChIKey=. ICXJVZHDZFXYQC-RAZYNMGUSA-N. InChI=1S/C63H95ClO21/c1-33(19-42(67)18-17-35(3)64)20-53-55(72)57-39(7)58(79-53)59(73)63(75)31-51(70)37(5)52(85-63)16-14-12

6 May 2024: university of cambridge. Experimental Data Checker. > Sorry, your web browser does not support java. Experimental data checker: better information for organic chemists. S. E. Adams, J. M. Goodman, R. J. Kidd, A. D. McNaught, P. Murray-Rust, F. R.

6 May 2024: university of cambridge. Predicting Intrinsic Aqueous Solubility. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. D. S. Palmer, A. Llinas, I. Morao, G. M. Day, J. M. Goodman, R. C. Glen, and J. B. O. Mitchell Molecular

6 May 2024: university of cambridge. threonine. Threonine. Thr. T. SMILES. O[C@H](C)[C@](C(O)=O)([H])N. Canonical SMILES CC(O)C(N)C(=O)O. InChI. InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1. AuxInfo=1/1/N:9,4,3,5,2,1,6,7/E:(7,8)/it:im/rA

6 May 2024: university of cambridge. Assignment of stereochemistry and structure using NMR and CP3. Assigning the Stereochemistry of Pairs of Diastereoisomers Using GIAO NMR Shift Calculation. S. G. Smith and J. M. Goodman J. Org. Chem. 2009, 74, 4597-4607.