CFAM Mol ID	CFAMM00307095
Family	CFFBM94 Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-[(4-methylphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate family
Superfamily	CFSBM64 Pol polyprotein and Disintegrin Binder Superfamily
Class	CFCBM26 Class 3076
External ID	CHEMBL356749	External Source	CHEMBL
PubChem CID	44364722	Functional Category	Bioactive
Molecule Name	tert-butyl N-[(2S,3S)-4-[(3S)-3-benzyl-1-[(4S)-3,4-dihydro-1H-isothiochromen-4-yl]-2-oxopyrrolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
IUPAC Name	tert-butyl N-[(2S,3S)-4-[(3S)-3-benzyl-1-[(4S)-3,4-dihydro-1H-isothiochromen-4-yl]-2-oxopyrrolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms	CHEBI:345230
InChi	InChI=1S/C35H42N2O4S/c1-34(2,3)41-33(40)36-29(20-25-12-6-4-7-13-25)31(38)22-35(21-26-14-8-5-9-15-26)18-19-37(32(35)39)30-24-42-23-27-16-10-11-17-28(27)30/h4-17,29-31,38H,18-24H2,1-3H3,(H,36,40)/t29-,30+,31-,35+/m0/s1
InChiKey	PKJUHXMDNIWQQO-XYIJYTLJSA-N
Formula	C35H42N2O4S	Molecular Weight	586.78
Cross Link	CHEMBL356749
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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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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