CFam Chemical Families Database
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You are searching for "CFAMM00091299" in compound.

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CFAM Mol ID CFAMM00091299
Family CFFAD646 Angiotensin-converting enzyme inhibitor Dicarboxylate-containing Cilazapril Family
Superfamily CFSAD369 Angiotensin-converting enzyme inhibitor Enalapril Fosinopril Cilazapril Spirapril Superfamily
Class CFCAD347 Class 347
External ID CHEMBL137755 External Source CHEMBL
PubChem CID 11768241 Functional Category Bioactive
Molecule Name (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Synonyms CHEBI:326343
InChi InChI=1S/C44H69N9O15/c1-21(2)17-28(49-41(64)29(19-32(46)55)50-43(66)37(23(5)6)53-39(62)26(45)13-15-34(57)58)31(54)20-33(56)52-36(22(3)4)42(65)47-24(7)38(61)48-27(14-16-35(59)60)40(63)51-30(44(67)68)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,54H,13-20,45H2,1-7H3,(H2,46,55)(H,47,65)(H,48,61)(H,49,64)(H,50,66)(H,51,63)(H,52,56)(H,53,62)(H,57,58)(H,59,60)(H,67,68)/t24-,26-,27-,28-,29-,30-,31-,36-,37-/m0/s1
InChiKey JKPIGOLCXAOIJV-TVZWHCCBSA-N
Formula C44H69N9O15 Molecular Weight 964.07
Cross Link CHEMBL137755
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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