CFam Chemical Families Database
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You are searching for "CFAMM00060796" in compound.

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CFAM Mol ID CFAMM00060796
Family CFFAD428 Angiotensin-converting enzyme Inhibitor Moexipril Family
Superfamily CFSAD371 Angiotensin-converting enzyme Inhibitor Moexipril Superfamily
Class CFCAD92 Class 92
External ID CHEMBL121761 External Source CHEMBL
PubChem CID 44347255 Functional Category Bioactive
Molecule Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
IUPAC Name (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
Synonyms CHEBI:300644
InChi InChI=1S/C29H30N2O6.C2HF3O2/c1-18(19-6-4-3-5-7-19)30-26(32)16-31-15-23(21-10-13-24-25(14-21)37-17-36-24)27(29(33)34)28(31)20-8-11-22(35-2)12-9-20;3-2(4,5)1(6)7/h3-14,18,23,27-28H,15-17H2,1-2H3,(H,30,32)(H,33,34);(H,6,7)/t18?,23-,27-,28+;/m1./s1
InChiKey LGUCCMIEHUEPTE-AXPCQMCESA-N
Formula C29H30N2O6.C2HF3O2 Molecular Weight 616.58
Cross Link CHEMBL121761
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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