CFam Chemical Families Database
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You are searching for "CFAMM00103196" 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 CFAMM00103196
Family CFFAD806 Renin Inhibitor Remikiren Family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL309773 External Source CHEMBL
PubChem CID 455880 Functional Category Bioactive
Molecule Name (2R)-2-acetamido-N-[(2S,3S,5R)-3-hydroxy-1,6-diphenyl-5-(5-propan-2-yl-1H-imidazol-2-yl)hexan-2-yl]-3-methylbutanamide
IUPAC Name (2R)-2-acetamido-N-[(2S,3S,5R)-3-hydroxy-1,6-diphenyl-5-(5-propan-2-yl-1H-imidazol-2-yl)hexan-2-yl]-3-methylbutanamide
Synonyms AC1L9TSE;D-Val Imid HOEt isostere;(2R)-2-acetamido-N-[(2S,3S,5R)-3-hydroxy-1,6-diphenyl-5-(5-propan-2-yl-1H-imidazol-2-yl)hexan-2-yl]-3-methylbutanamide;(2R)-N-{(1S,2S,4R)-2-Hydroxy-4-[5-(methylethyl)imidazol-2-yl]-5-phenyl-1-benzylpentyl}-2-(acetylamino)-3-methylbutanamide
InChi InChI=1S/C31H42N4O3/c1-20(2)27-19-32-30(34-27)25(16-23-12-8-6-9-13-23)18-28(37)26(17-24-14-10-7-11-15-24)35-31(38)29(21(3)4)33-22(5)36/h6-15,19-21,25-26,28-29,37H,16-18H2,1-5H3,(H,32,34)(H,33,36)(H,35,38)/t25-,26+,28+,29-/m1/s1
InChiKey YZBQENDDAGQPSE-FUCIELGGSA-N
Formula C31H42N4O3 Molecular Weight 518.69
Cross Link CHEMBL309773
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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