CFam Chemical Families Database
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You are searching for "CFAMM00187771" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00187771
Family CFFID332 Neprilysin Inhibitor Thiorphan Family
Superfamily CFSID268 Neprilysin Inhibitor Thiorphan Superfamily
Class CFCID188 Class 1538
External ID CHEMBL196902 External Source CHEMBL
PubChem CID 123742 Functional Category Bioactive
Molecule Name SQ 28603
IUPAC Name 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
Synonyms SQ 28,603;beta-Alanine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-;AC1L3X7M;AGN-PC-073RNU;CHEBI:431217;LS-186925;LS-187575;3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid;3-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]propanoic acid
InChi InChI=1S/C13H17NO3S/c15-12(16)6-7-14-13(17)11(9-18)8-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,14,17)(H,15,16)
InChiKey ZCTDTVUDURCGFX-UHFFFAOYSA-N
Formula C13H17NO3S Molecular Weight 267.34
Cross Link CHEMBL196902
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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