CFam Chemical Families Database
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You are searching for "CFAMM00407934" in compound.

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CFAM Mol ID CFAMM00407934
Family CFFBM11262 Angiotensin-converting enzyme inhibitor (2S)-2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid family
Superfamily CFSBM5435 Prelamin-A/C and Lethal factor Binder Superfamily 8
Class CFCBM1762 Class 4812
External ID CHEMBL2114418 External Source CHEMBL
PubChem CID 13375126 Functional Category Bioactive
Molecule Name (2S)-2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid
IUPAC Name (2S)-2-[[(3R)-5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid
Synonyms SureCN11063329
InChi InChI=1S/C21H22N2O5S/c24-19(25)12-23-17-8-4-5-9-18(17)29-13-16(20(23)26)22-15(21(27)28)11-10-14-6-2-1-3-7-14/h1-9,15-16,22H,10-13H2,(H,24,25)(H,27,28)/t15-,16-/m0/s1
InChiKey UWIKUJFVCXNPLG-HOTGVXAUSA-N
Formula C21H22N2O5S Molecular Weight 414.47
Cross Link CHEMBL2114418
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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