CFam Chemical Families Database
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You are searching for "CFAMM00453833" in compound.

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CFAM Mol ID CFAMM00453833
Family CFFBM19955 Renin inhibitor MRM-HFA-CYM-CPY family
Superfamily CFSBM807 Renin and Pepsin A Binder Superfamily
Class CFCBM315 Class 3365
External ID CHEMBL116427 External Source CHEMBL
PubChem CID 5288846 Functional Category Bioactive
Molecule Name MRM-HFA-CYM-CPY
IUPAC Name [(2S)-1-[[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1-yl)butan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate
Synonyms AC1NRC71;CHEBI:294911;(2s)-1-{[(2r)-1-{[(2s,3s)-1-Cyclohexyl-3-Hydroxy-4-(2-Oxopyridin-1(2h)-Yl)butan-2-Yl]amino}-3-(Methylsulfanyl)-1-Oxopropan-2-Yl]amino}-1-Oxo-3-Phenylpropan-2-Yl 4-Aminopiperidine-1-Carboxylate;[(2S)-1-[[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(2-oxopyridin-1-yl)butan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate;M91
InChi InChI=1S/C34H49N5O6S/c1-46-23-28(32(42)36-27(20-24-10-4-2-5-11-24)29(40)22-39-17-9-8-14-31(39)41)37-33(43)30(21-25-12-6-3-7-13-25)45-34(44)38-18-15-26(35)16-19-38/h3,6-9,12-14,17,24,26-30,40H,2,4-5,10-11,15-16,18-23,35H2,1H3,(H,36,42)(H,37,43)/t27-,28-,29-,30-/m0/s1
InChiKey HYLLVLPQGWZUHR-KRCBVYEFSA-N
Formula C34H49N5O6S Molecular Weight 655.85
Cross Link CHEMBL116427
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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