CFam Chemical Families Database
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You are searching for "CFAMM00322261" in compound.

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CFAM Mol ID CFAMM00322261
Family CFFBM1337 Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholin-4-ylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSID207 Renin Inhibitor CP-80794 Superfamily
Class CFCID94 Class 1444
External ID CHEMBL431667 External Source CHEMBL
PubChem CID 44348447 Functional Category Bioactive
Molecule Name tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmethyl)-10-(diethylaminomethyl)-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmethyl)-10-(diethylaminomethyl)-7-hydroxy-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:303741
InChi InChI=1S/C37H58N4O9/c1-6-41(7-2)23-27-19-14-20-31(42)48-24-30(34(45)38-28(32(43)35(46)49-27)21-25-15-10-8-11-16-25)39-33(44)29(22-26-17-12-9-13-18-26)40-36(47)50-37(3,4)5/h9,12-13,17-18,25,27-30,32,43H,6-8,10-11,14-16,19-24H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)/t27?,28-,29?,30-,32+/m0/s1
InChiKey MBXIQNNQZWUDGS-PXSNYUHUSA-N
Formula C37H58N4O9 Molecular Weight 702.88
Cross Link CHEMBL431667
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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