CFam Chemical Families Database
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You are searching for "CFAMM00060843" in compound.

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CFAM Mol ID CFAMM00060843
Family CFFAD429 Angiotensin-converting enzyme Inhibitor Quinapril Family
Superfamily CFSAD372 Angiotensin-converting enzyme Inhibitor Quinapril Superfamily
Class CFCAD349 Class 349
External ID CHEMBL63022 External Source CHEMBL
PubChem CID 44304146 Functional Category Bioactive
Molecule Name tert-butyl (3S)-3-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxopent-4-en-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC Name tert-butyl (3S)-3-[[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxopent-4-en-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Synonyms CHEBI:197316
InChi InChI=1S/C34H53N3O6/c1-7-13-26(31(40)36-27(19-23-14-9-8-10-15-23)30(39)29(38)18-22(2)3)35-32(41)28-20-24-16-11-12-17-25(24)21-37(28)33(42)43-34(4,5)6/h7,11-12,16-17,22-23,26-30,38-39H,1,8-10,13-15,18-21H2,2-6H3,(H,35,41)(H,36,40)/t26-,27-,28-,29-,30+/m0/s1
InChiKey PPCKVSNDKZJRMR-VFFRCKCKSA-N
Formula C34H53N3O6 Molecular Weight 599.80
Cross Link CHEMBL63022
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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