CFam Chemical Families Database
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You are searching for "CFAMM00433549" in compound.

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CFAM Mol ID CFAMM00433549
Family CFFBM15343 Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSBM6578 Renin and Cathepsin E Binder Superfamily
Class CFCID94 Class 1444
External ID CHEMBL306609 External Source CHEMBL
PubChem CID 44312917 Functional Category Bioactive
Molecule Name 2-[[2-(tert-butylcarbamoylamino)-3-phenylpropanoyl]amino]-N-[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-(4H-imidazol-4-yl)propanamide
IUPAC Name 2-[[2-(tert-butylcarbamoylamino)-3-phenylpropanoyl]amino]-N-[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-(4H-imidazol-4-yl)propanamide
Synonyms CHEBI:217159
InChi InChI=1S/C34H54N6O5/c1-22(2)16-29(41)30(42)26(17-23-12-8-6-9-13-23)37-32(44)28(19-25-20-35-21-36-25)38-31(43)27(18-24-14-10-7-11-15-24)39-33(45)40-34(3,4)5/h7,10-11,14-15,20-23,25-30,41-42H,6,8-9,12-13,16-19H2,1-5H3,(H,37,44)(H,38,43)(H2,39,40,45)/t25?,26?,27?,28?,29-,30+/m0/s1
InChiKey CTGMNPIYDKOSFP-IFNBDZAXSA-N
Formula C34H54N6O5 Molecular Weight 626.83
Cross Link CHEMBL306609
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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