CFAM Mol ID	CFAMM00225913
Family	CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily	CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class	CFCCD46 Class 859
External ID	CHEMBL332042	External Source	CHEMBL
PubChem CID	469661	Functional Category	Bioactive
Molecule Name	AC1LAJOC
IUPAC Name	methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms	SureCN7284205;CHEBI:288144;1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis[[N-(methoxycarbonyl)-L-valinyl]amino]-6-phenyl-2-azahexane;methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
InChi	InChI=1S/C37H49N5O7/c1-24(2)32(39-36(46)48-5)34(44)38-30(21-26-13-9-7-10-14-26)31(43)23-42(41-35(45)33(25(3)4)40-37(47)49-6)22-27-17-19-29(20-18-27)28-15-11-8-12-16-28/h7-20,24-25,30-33,43H,21-23H2,1-6H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t30-,31-,32-,33-/m0/s1
InChiKey	VEOLQCNMFWRLEI-YRCZKMHPSA-N
Formula	C37H49N5O7	Molecular Weight	675.81
Cross Link	CHEMBL332042
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

48707 visits since 2014 .........

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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