CFam Chemical Families Database
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You are searching for "CFAMM00439514" in compound.

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CFAM Mol ID CFAMM00439514
Family CFFBM16829 Pol polyprotein inhibitor penicillin deriv. 43 family
Superfamily CFSBM4152 Cathepsin K and Cathepsin S Binder Superfamily 10
Class CFCCD187 Class 1000
External ID CHEMBL439366 External Source CHEMBL
PubChem CID 454975 Functional Category Bioactive
Molecule Name penicillin deriv. 42
IUPAC Name (2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylbenzoyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylbenzoyl)amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Synonyms AC1L9RZS;(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylbenzoyl)amino]ethyl]-N-[2-[[(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylbenzoyl)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[5,5-dimethyl-.alpha.-[[[(1,1'-biphenyl)-2-yl]carbonyl]amino]-N-(phenylmethyl)-2-thiazolidineacetamide]
InChi InChI=1S/C58H62N8O6S2/c1-57(2)47(65-55(73-57)45(51(69)61-35-37-21-9-5-10-22-37)63-49(67)43-31-19-17-29-41(43)39-25-13-7-14-26-39)53(71)59-33-34-60-54(72)48-58(3,4)74-56(66-48)46(52(70)62-36-38-23-11-6-12-24-38)64-50(68)44-32-20-18-30-42(44)40-27-15-8-16-28-40/h5-32,45-48,55-56,65-66H,33-36H2,1-4H3,(H,59,71)(H,60,72)(H,61,69)(H,62,70)(H,63,67)(H,64,68)/t45-,46-,47+,48+,55-,56-/m1/s1
InChiKey ZOQHQYKHUNCUNU-MMKQIJOCSA-N
Formula C58H62N8O6S2 Molecular Weight 1031.29
Cross Link CHEMBL439366
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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