CFam Chemical Families Database
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You are searching for "CFAMM00225936" in compound.

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CFAM Mol ID CFAMM00225936
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL107559 External Source CHEMBL
PubChem CID 44338727 Functional Category Bioactive
Molecule Name methyl N-[1-[[(2S,3R)-4-[cyclohexylmethyl-[[2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
IUPAC Name methyl N-[1-[[(2S,3R)-4-[cyclohexylmethyl-[[2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms
InChi InChI=1S/C32H53N5O7/c1-7-44-32(42)35-28(22(4)5)30(40)36-37(19-24-16-12-9-13-17-24)20-26(38)25(18-23-14-10-8-11-15-23)33-29(39)27(21(2)3)34-31(41)43-6/h8,10-11,14-15,21-22,24-28,38H,7,9,12-13,16-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t25-,26+,27?,28?/m0/s1
InChiKey MPCIOBADQADHMQ-VHYZNMNTSA-N
Formula C32H53N5O7 Molecular Weight 619.79
Cross Link CHEMBL107559
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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