CFam Chemical Families Database
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You are searching for "CFAMM00187806" in compound.

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CFAM Mol ID CFAMM00187806
Family CFFID332 Neprilysin Inhibitor Thiorphan Family
Superfamily CFSID268 Neprilysin Inhibitor Thiorphan Superfamily
Class CFCID188 Class 1538
External ID CHEMBL84526 External Source CHEMBL
PubChem CID 44460981 Functional Category Bioactive
Molecule Name ethyl (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate
IUPAC Name ethyl (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-(2-methylphenyl)propanoyl]amino]-4-methylsulfanylbutanoate
Synonyms CHEBI:230391
InChi InChI=1S/C20H29NO4S2/c1-5-25-20(24)18(10-11-26-4)21-19(23)17(13-27-15(3)22)12-16-9-7-6-8-14(16)2/h6-9,17-18H,5,10-13H2,1-4H3,(H,21,23)/t17-,18-/m1/s1
InChiKey ZVQXPUMRSJGLSF-QZTJIDSGSA-N
Formula C20H29NO4S2 Molecular Weight 411.58
Cross Link CHEMBL84526
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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