CFam Chemical Families Database
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You are searching for "CFAMM00454037" in compound.

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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 CFAMM00454037
Family CFFBM20008 Renin inhibitor [(2S)-1-[[(2R)-1-[[(2S,3R)-1-cyclohexyl-3-hydroxy-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate family
Superfamily CFSBM807 Renin and Pepsin A Binder Superfamily
Class CFCBM315 Class 3365
External ID CHEMBL421050 External Source CHEMBL
PubChem CID 10078377 Functional Category Bioactive
Molecule Name [(2S)-1-[[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(1-methyltetrazol-5-yl)sulfanylpentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate
IUPAC Name [(2S)-1-[[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(1-methyltetrazol-5-yl)sulfanylpentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate
Synonyms CHEBI:294912
InChi InChI=1S/C32H50N8O5S2/c1-39-31(36-37-38-39)47-18-15-27(41)25(19-22-9-5-3-6-10-22)34-29(42)26(21-46-2)35-30(43)28(20-23-11-7-4-8-12-23)45-32(44)40-16-13-24(33)14-17-40/h4,7-8,11-12,22,24-28,41H,3,5-6,9-10,13-21,33H2,1-2H3,(H,34,42)(H,35,43)/t25-,26-,27-,28-/m0/s1
Formula C32H50N8O5S2 Molecular Weight 690.92
Cross Link CHEMBL421050

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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