CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00172731" 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 CFAMM00172731
Family CFFCD831 Ezatiostat family
Superfamily CFSAD372 Angiotensin-converting enzyme Inhibitor Quinapril Superfamily
Class CFCAD349 Class 349
External ID ZINC08790293 External Source ZINC
PubChem CID 40825323 Functional Category Natural Product
Molecule Name (2R)-2-[[4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-phenylacetate
IUPAC Name (2R)-2-[[4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]methyl]cyclohexanecarbonyl]amino]-2-phenylacetate
Synonyms
InChi InChI=1S/C26H39N3O6S/c1-26(2,3)35-25(34)28-20(14-15-36-4)23(31)27-16-17-10-12-19(13-11-17)22(30)29-21(24(32)33)18-8-6-5-7-9-18/h5-9,17,19-21H,10-16H2,1-4H3,(H,27,31)(H,28,34)(H,29,30)(H,32,33)/p-1/t17?,19?,20-,21+/m0/s1
InChiKey JVFDMOLZECZGAS-NLDTVIPQSA-M
Formula C26H38N3O6S- Molecular Weight 520.66
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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