CFam Chemical Families Database
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You are searching for "CFAMM00338713" in compound.

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CFAM Mol ID CFAMM00338713
Family CFFBM2865 Neutrophil elastase inhibitor methyl 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethylsulfonylamino)benzoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]-1,3-benzoxazole-5-carboxylate family
Superfamily CFSID469 Chymase Inhibitor Y-40613 Superfamily
Class CFCCD15 Class 828
External ID CHEMBL130966 External Source CHEMBL
PubChem CID 10055681 Functional Category Bioactive
Molecule Name methyl 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethylsulfonylamino)benzoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]-1,3-benzoxazole-5-carboxylate
IUPAC Name methyl 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethylsulfonylamino)benzoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]-1,3-benzoxazole-5-carboxylate
Synonyms CHEBI:313574
InChi InChI=1S/C32H36F3N5O9S/c1-16(2)24(26(41)29-36-21-15-19(31(45)48-5)10-13-23(21)49-29)37-28(43)22-7-6-14-40(22)30(44)25(17(3)4)38-27(42)18-8-11-20(12-9-18)39-50(46,47)32(33,34)35/h8-13,15-17,22,24-25,39H,6-7,14H2,1-5H3,(H,37,43)(H,38,42)/t22-,24-,25-/m0/s1
InChiKey GNJDAKHXZKAURI-HVCNVCAESA-N
Formula C32H36F3N5O9S Molecular Weight 723.72
Cross Link CHEMBL130966
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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