CFam Chemical Families Database
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You are searching for "CFAMM00306582" in compound.

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CFAM Mol ID CFAMM00306582
Family CFFBM62 Renin inhibitor benzyl N-[3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propyl]carbamate family
Superfamily CFSBM34 Renin Binder Superfamily
Class CFCAD232 Class 232
External ID CHEMBL50217 External Source CHEMBL
PubChem CID 14991474 Functional Category Bioactive
Molecule Name benzyl N-[(3S,5S,6S)-7-cyclohexyl-5-hydroxy-6-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-methylheptan-3-yl]carbamate
IUPAC Name benzyl N-[(3S,5S,6S)-7-cyclohexyl-5-hydroxy-6-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-methylheptan-3-yl]carbamate
Synonyms CHEBI:173339
InChi InChI=1S/C44H67N3O8/c1-5-6-22-40(55-41(28-34-18-12-8-13-19-34)43(50)47-25-23-36(24-26-47)54-31-52-4)42(49)45-38(27-33-16-10-7-11-17-33)39(48)29-37(32(2)3)46-44(51)53-30-35-20-14-9-15-21-35/h8-9,12-15,18-21,32-33,36-41,48H,5-7,10-11,16-17,22-31H2,1-4H3,(H,45,49)(H,46,51)/t37-,38-,39-,40-,41-/m0/s1
InChiKey ISWAVOIAJHNXBP-LSLOANPCSA-N
Formula C44H67N3O8 Molecular Weight 766.02
Cross Link CHEMBL50217
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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