CFam Chemical Families Database
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You are searching for "CFAMM00103144" in compound.

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CFAM Mol ID CFAMM00103144
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL76458 External Source CHEMBL
PubChem CID 14213025 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
IUPAC Name (2S)-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
Synonyms CHEBI:217796
InChi InChI=1S/C32H50N6O5/c1-21(2)15-28(39)29(40)25(16-22-11-7-5-8-12-22)35-31(42)27(18-24-19-33-20-34-24)36-30(41)26(37-32(43)38(3)4)17-23-13-9-6-10-14-23/h6,9-10,13-14,19-22,25-29,39-40H,5,7-8,11-12,15-18H2,1-4H3,(H,33,34)(H,35,42)(H,36,41)(H,37,43)/t25-,26-,27-,28-,29+/m0/s1
InChiKey BUTLRPLOHRQFSC-MYHRABSESA-N
Formula C32H50N6O5 Molecular Weight 598.78
Cross Link CHEMBL76458
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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