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MSDchem
Primary Developer: Dimitris Dimitropoulos
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HETATM 4342 C2 PLA 86 14.227 11.195 -8.256 1.00 67.95 C
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Derived information
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Stereochemistry (R/S – E/Z)
DCF
C4' R
C3' S
C1' R
Smiles and detailed gifs
 Systematic IUPAC names

THIOALANINE (ALT)
CC(N)C(O)=S - C[C@H](N)C(O)=S
(2S)-2-aminopropanethioic O-acid
DCM
C4' S
C3' R
C1' S
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PDB residue KWT
<chemComp>
<code>KWT</code>
<name>(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,3,2DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE</name>
<nAtomsAll>55</nAtomsAll>
<nAtomsNh>31</nAtomsNh>
<overallCharge>0</overallCharge>
<stereoSmiles>COC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)[C@H]4
CCC5=O)OC(C)=O)[C@]1(C)c23</stereoSmiles>
<systematicName>(1S,6bR,9aS,11R,11bR)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5h]isochromen-11-yl acetate</systematicName>
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