CFam Chemical Families Database
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You are searching for "CFAMM00025387" in compound.

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CFAM Mol ID CFAMM00025387
Family CFFAD147 HIV protease Inhibitor Amprenavir Family
Superfamily CFSAD138 HIV protease Inhibitor Amprenavir Superfamily
Class CFCAD136 Class 136
External ID CHEMBL173569 External Source CHEMBL
PubChem CID 480469 Functional Category Bioactive
Molecule Name arylsulfonamide 11b
IUPAC Name methyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(3-aminophenyl)sulfonylamino]-4,4-dimethylpentyl]carbamate
Synonyms AC1LA2QJ;((2R)-4,6-Dioxabicyclo[3.3.0]oct-2-yloxy)-N-((1S,2R)-3-{[(3-aminophenyl)sulfonyl] [5-(methoxycarbonylamino)-2,2-dimethylpentyl]amino}-2-hydroxy-1-benzylpropyl) carboxamide;methyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(3-aminophenyl)sulfonylamino]-4,4-dimethylpentyl]carbamate
InChi InChI=1S/C32H46N4O9S/c1-32(2,14-8-15-34-30(38)42-3)21-36(46(40,41)24-12-7-11-23(33)18-24)19-27(37)26(17-22-9-5-4-6-10-22)35-31(39)45-28-20-44-29-25(28)13-16-43-29/h4-7,9-12,18,25-29,37H,8,13-17,19-21,33H2,1-3H3,(H,34,38)(H,35,39)/t25-,26-,27+,28-,29+/m0/s1
InChiKey KEPCCDBSKLGSTC-WNJKUOTESA-N
Formula C32H46N4O9S Molecular Weight 662.79
Cross Link CHEMBL173569
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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