CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00212322" 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 CFAMM00212322
Family CFFID498 Vasopeptidase Inhibitor Sampatrilat Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID ZINC02115954 External Source ZINC
PubChem CID 1770661 Functional Category Natural Product
Molecule Name (2S)-2-[[(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
IUPAC Name (2S)-2-[[(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Synonyms AC1LXDG7;(2S)-2-[[(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
InChi InChI=1S/C19H22N2O7S/c1-12-2-8-15(9-3-12)29(27,28)21-17(11-22)18(24)20-16(19(25)26)10-13-4-6-14(23)7-5-13/h2-9,16-17,21-23H,10-11H2,1H3,(H,20,24)(H,25,26)/p-1/t16-,17-/m0/s1
InChiKey NLJRARZQPGDYSK-IRXDYDNUSA-M
Formula C19H21N2O7S- Molecular Weight 421.44
Cross Link
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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