CFam Chemical Families Database
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You are searching for "CFAMM00319045" in compound.

Total 1 results found.

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 CFAMM00319045
Family CFFBM1071 Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate family
Superfamily CFSBM134 Pol polyprotein and Cathepsin B Binder Superfamily 2
Class CFCID697 Class 2047
External ID CHEMBL607290 External Source CHEMBL
PubChem CID 46878217 Functional Category Bioactive
Molecule Name 4-[2-[[(2S)-4,4-difluoro-2-[[(2R)-1-[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]butanoyl]amino]ethyl]-3,5-difluorobenzoic acid
IUPAC Name 4-[2-[[(2S)-4,4-difluoro-2-[[(2R)-1-[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]butanoyl]amino]ethyl]-3,5-difluorobenzoic acid
Synonyms
InChi InChI=1S/C35H44F4N4O8/c1-19(2)17-51-35(49)42-30(20(3)4)33(46)43-16-23(50-18-21-8-6-5-7-9-21)14-28(43)32(45)41-27(15-29(38)39)31(44)40-11-10-24-25(36)12-22(34(47)48)13-26(24)37/h5-9,12-13,19-20,23,27-30H,10-11,14-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,49)(H,47,48)/t23?,27-,28+,30-/m0/s1
InChiKey HEPRFYCVWWRMAE-JZHHYDKJSA-N
Formula C35H44F4N4O8 Molecular Weight 724.74
Cross Link CHEMBL607290
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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