CFam Chemical Families Database
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You are searching for "CFAMM00424310" in compound.

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CFAM Mol ID CFAMM00424310
Family CFFBM13797 Angiotensin-converting enzyme inhibitor (2S)-2-[[(2S)-1-[carboxymethyl(2,3-dihydro-1H-inden-2-yl)amino]-6-[(4-chloro-3-sulfamoylbenzoyl)amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid;hydrochloride family
Superfamily CFSBM6165 Carbonic anhydrase 1 and Carbonic anhydrase 2 Binder Superfamily 25
Class CFCAD304 Class 304
External ID 22825619 External Source PubChem
PubChem CID 22825619 Functional Category Patent Compound
Molecule Name SureCN11024516
IUPAC Name (2S,3aR,7aR)-1-[(2S)-2-[[(2S)-6-[(4-chloro-3-sulfamoylbenzoyl)amino]-1-ethoxy-1-oxohexan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Synonyms
InChi InChI=1S/C27H39ClN4O8S/c1-3-40-27(37)20(9-6-7-13-30-24(33)18-11-12-19(28)23(15-18)41(29,38)39)31-16(2)25(34)32-21-10-5-4-8-17(21)14-22(32)26(35)36/h11-12,15-17,20-22,31H,3-10,13-14H2,1-2H3,(H,30,33)(H,35,36)(H2,29,38,39)/t16-,17+,20-,21+,22-/m0/s1
InChiKey BRWSQZNNISROSL-OQZLWFJBSA-N
Formula C27H39ClN4O8S Molecular Weight 615.14
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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