CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00091303" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00091303
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 CHEMBL418329 External Source CHEMBL
PubChem CID 44305352 Functional Category Bioactive
Molecule Name (4S)-4-[[(2S)-2-[[(2R,5S)-5-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid
IUPAC Name (4S)-4-[[(2S)-2-[[(2R,5S)-5-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid
Synonyms CHEBI:200255
InChi InChI=1S/C36H57N7O11/c1-18(2)14-24(41-34(51)25(17-28(37)45)42-35(52)30(38)19(3)4)27(44)15-20(5)31(48)39-21(6)32(49)40-23(12-13-29(46)47)33(50)43-26(36(53)54)16-22-10-8-7-9-11-22/h7-11,18-21,23-27,30,44H,12-17,38H2,1-6H3,(H2,37,45)(H,39,48)(H,40,49)(H,41,51)(H,42,52)(H,43,50)(H,46,47)(H,53,54)/t20-,21+,23+,24+,25+,26+,27?,30+/m1/s1
Formula C36H57N7O11 Molecular Weight 763.88
Cross Link CHEMBL418329

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).

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National University of Singapore, Singapore

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