CFam Chemical Families Database
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You are searching for "CFAMM00309841" in compound.

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CFAM Mol ID CFAMM00309841
Family CFFBM284 Pol polyprotein inhibitor pyridin-2-ylmethyl N-[(2R)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate family
Superfamily CFSAD446 HIV-1 protease Inhibitor Atazanavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL1790106 External Source CHEMBL
PubChem CID 56657673 Functional Category Bioactive
Molecule Name benzyl N-[3-benzyl-1-[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-1-oxohexan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
IUPAC Name benzyl N-[3-benzyl-1-[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3R)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-1-oxohexan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
Synonyms
InChi InChI=1S/C49H70N6O7/c1-8-10-24-41(55-27-25-49(47(55)60,30-36-19-13-11-14-20-36)54-48(61)62-32-37-21-15-12-16-22-37)45(58)52-40(28-33(3)4)42(56)29-39(34(5)6)44(57)53-43(35(7)9-2)46(59)51-31-38-23-17-18-26-50-38/h11-23,26,33-35,39-43,56H,8-10,24-25,27-32H2,1-7H3,(H,51,59)(H,52,58)(H,53,57)(H,54,61)/t35-,39+,40+,41+,42+,43+,49?/m1/s1
InChiKey QMXKHSWHJCCJOX-BGKFPNIYSA-N
Formula C49H70N6O7 Molecular Weight 855.12
Cross Link CHEMBL1790106
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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