CFam Chemical Families Database
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You are searching for "CFAMM00308866" in compound.

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CFAM Mol ID CFAMM00308866
Family CFFBM204 Pol polyprotein and Protease inhibitor 161186-52-3 family
Superfamily CFSBM124 Protease and Pol polyprotein Binder Superfamily
Class CFCCD63 Class 876
External ID CHEMBL104612 External Source CHEMBL
PubChem CID 460239 Functional Category Bioactive
Molecule Name 161186-49-8
IUPAC Name benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-chlorophenyl)methylamino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms Statine deriv. 48;AC1LA20C;CTK4D0766;AG-E-10864;SDZ 283004;(2R,3R,4S)-N-(2-(4-Chlorobenzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine(2-benzimidazolyl)methylamide;(2R,3R,4S)-N-[2-(4-Chlorobenzylamino)-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine(2-benzimidazolyl)methylamide;benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-chlorophenyl)methylamino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;L-Lyxonamide,N-[1-[[(1H-benzimidazol-2-ylmethyl)amino]carbonyl]-2-methylpropyl]-2-[[(4-chlorophenyl)methyl]amino]-2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-5-phenyl-,[1(S),4(S)]- (9CI)
InChi InChI=1S/C44H52ClN7O6/c1-27(2)37(41(54)47-25-36-48-33-17-11-12-18-34(33)49-36)51-43(56)39(46-24-30-19-21-32(45)22-20-30)40(53)35(23-29-13-7-5-8-14-29)50-42(55)38(28(3)4)52-44(57)58-26-31-15-9-6-10-16-31/h5-22,27-28,35,37-40,46,53H,23-26H2,1-4H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t35-,37-,38-,39+,40+/m0/s1
InChiKey MJVSIMVXDIEJOG-BMYMHALSSA-N
Formula C44H52ClN7O6 Molecular Weight 810.38
Cross Link CHEMBL104612
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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