CFam Chemical Families Database
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You are searching for "CFAMM00225794" in compound.

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CFAM Mol ID CFAMM00225794
Family CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class CFCCD46 Class 859
External ID CHEMBL94335 External Source CHEMBL
PubChem CID 44328418 Functional Category Bioactive
Molecule Name (2S)-N-[(2S,3S)-4-[benzyl-[[(2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
IUPAC Name (2S)-N-[(2S,3S)-4-[benzyl-[[(2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
Synonyms CHEBI:257022
InChi InChI=1S/C43H53N5O5/c1-30(2)40(45-38(50)26-33-19-11-6-12-20-33)42(52)44-36(25-32-17-9-5-10-18-32)37(49)29-48(28-35-23-15-8-16-24-35)47-43(53)41(31(3)4)46-39(51)27-34-21-13-7-14-22-34/h5-24,30-31,36-37,40-41,49H,25-29H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)(H,47,53)/t36-,37-,40-,41+/m0/s1
InChiKey RCEFKYSGICGOMV-MMJREUGYSA-N
Formula C43H53N5O5 Molecular Weight 719.91
Cross Link CHEMBL94335
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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