CFam Chemical Families Database
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You are searching for "CFAMM00309348" in compound.

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CFAM Mol ID CFAMM00309348
Family CFFBM239 Pol polyprotein inhibitor penicillin deriv. 40 family
Superfamily CFSBM149 Pol polyprotein and Thromboxane-A synthase Binder Superfamily
Class CFCAD189 Class 189
External ID CHEMBL269252 External Source CHEMBL
PubChem CID 454974 Functional Category Bioactive
Molecule Name penicillin deriv. 41
IUPAC Name (2R,4S)-2-[(1R)-2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Synonyms AC1L9RZR;(2R,4S)-2-[(1R)-2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-[(2-pyridin-2-ylacetyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide;[2R-[2.alpha.(R*),4.beta.]]-4,4'-[1,2-Ethanediylbis[aminocarbonyl]]bis[N-(2,4-dichlorobenzyl)-5,5-dimethyl-.alpha.-[(2-pyridinylacetyl)amino]-2-thiazolidineacetamide]
InChi InChI=1S/C46H52Cl4N10O6S2/c1-45(2)37(59-43(67-45)35(57-33(61)21-29-9-5-7-15-51-29)39(63)55-23-25-11-13-27(47)19-31(25)49)41(65)53-17-18-54-42(66)38-46(3,4)68-44(60-38)36(58-34(62)22-30-10-6-8-16-52-30)40(64)56-24-26-12-14-28(48)20-32(26)50/h5-16,19-20,35-38,43-44,59-60H,17-18,21-24H2,1-4H3,(H,53,65)(H,54,66)(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t35-,36-,37+,38+,43-,44-/m1/s1
InChiKey UFCZJNJTAXXEEG-ZDHSOWNUSA-N
Formula C46H52Cl4N10O6S2 Molecular Weight 1046.91
Cross Link CHEMBL269252
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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National University of Singapore, Singapore


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