CFam Chemical Families Database
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You are searching for "CFAMM00103069" in compound.

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CFAM Mol ID CFAMM00103069
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL1790073 External Source CHEMBL
PubChem CID 56661235 Functional Category Bioactive
Molecule Name (2S,5S)-4-hydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3R)-3-methyl-1-[methyl(pyridin-2-yl)amino]-1-oxopentan-2-yl]-2-propan-2-yloctanamide
IUPAC Name (2S,5S)-4-hydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3R)-3-methyl-1-[methyl(pyridin-2-yl)amino]-1-oxopentan-2-yl]-2-propan-2-yloctanamide
Synonyms
InChi InChI=1S/C38H55N7O5/c1-8-26(6)35(38(50)45(7)33-16-12-13-17-40-33)44-36(48)29(25(4)5)21-32(46)30(18-24(2)3)43-37(49)31(20-28-22-39-23-41-28)42-34(47)19-27-14-10-9-11-15-27/h9-17,22-26,29-32,35,46H,8,18-21H2,1-7H3,(H,39,41)(H,42,47)(H,43,49)(H,44,48)/t26-,29+,30+,31+,32?,35+/m1/s1
InChiKey YKGFCXAVGLYHPE-BRAULPTRSA-N
Formula C38H55N7O5 Molecular Weight 689.89
Cross Link CHEMBL1790073
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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