CFam Chemical Families Database
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You are searching for "CFAMM00431110" in compound.

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CFAM Mol ID CFAMM00431110
Family CFFBM14923 Renin inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSAD449 Insulin-degrading enzyme inhibitor Bacitracin, Renin inhibitor Remikiren Superfamily
Class CFCAD414 Class 414
External ID CHEMBL290215 External Source CHEMBL
PubChem CID 14654562 Functional Category Bioactive
Molecule Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
IUPAC Name tert-butyl N-[(2S)-1-[[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(2S)-4,4-dimethyl-5-oxooxolan-2-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Synonyms CHEBI:160498
InChi InChI=1S/C35H51N5O7/c1-34(2,3)47-33(45)40-26(17-23-14-10-7-11-15-23)30(42)39-27(18-24-20-36-21-37-24)31(43)38-25(16-22-12-8-6-9-13-22)29(41)28-19-35(4,5)32(44)46-28/h7,10-11,14-15,20-22,25-29,41H,6,8-9,12-13,16-19H2,1-5H3,(H,36,37)(H,38,43)(H,39,42)(H,40,45)/t25-,26-,27-,28-,29+/m0/s1
InChiKey DKBHUEXIOKTNTL-MYHRABSESA-N
Formula C35H51N5O7 Molecular Weight 653.81
Cross Link CHEMBL290215
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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