CFam Chemical Families Database
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You are searching for "CFAMM00484713" in compound.

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CFAM Mol ID CFAMM00484713
Family CFFBM28053 NS3 inhibitor 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL360748 External Source CHEMBL
PubChem CID 44392871 Functional Category Bioactive
Molecule Name 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
IUPAC Name 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-4-(3,4-dihydro-1H-isoquinoline-2-carbonyloxy)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
Synonyms CHEBI:406315
InChi InChI=1S/C40H58N6O10/c1-6-11-29(35(50)38(53)41-27-16-17-27)42-36(51)30-20-28(56-40(55)45-19-18-25-12-7-8-13-26(25)21-45)22-46(30)39(54)34(24(4)5)44-37(52)33(23(2)3)43-31(47)14-9-10-15-32(48)49/h7-8,12-13,23-24,27-30,33-34H,6,9-11,14-22H2,1-5H3,(H,41,53)(H,42,51)(H,43,47)(H,44,52)(H,48,49)/t28?,29?,30-,33-,34-/m0/s1
InChiKey KTOMWINXIOTJNM-ACRPUTFUSA-N
Formula C40H58N6O10 Molecular Weight 782.92
Cross Link CHEMBL360748
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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