CFAM Mol ID	CFAMM00225914
Family	CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily	CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class	CFCCD46 Class 859
External ID	CHEMBL353204	External Source	CHEMBL
PubChem CID	44380729	Functional Category	Bioactive
Molecule Name	tert-butyl N-[(1S)-1-[3-[2-[[(3R)-5-[[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]carbamate
IUPAC Name	tert-butyl N-[(1S)-1-[3-[2-[[(3R)-5-[[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]carbamate
Synonyms	CHEBI:380928
InChi	InChI=1S/C41H60N4O7/c1-27(2)21-33(39(49)42-26-30-19-13-8-14-20-30)44-36(47)24-34(46)31(22-28-15-9-6-10-16-28)43-37(48)25-35-38(51-35)32(23-29-17-11-7-12-18-29)45-40(50)52-41(3,4)5/h7-8,11-14,17-20,27-28,31-35,38,46H,6,9-10,15-16,21-26H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)(H,45,50)/t31?,32-,33-,34+,35?,38?/m0/s1
InChiKey	FGLRBWJRHKMZBP-PVRPMRCRSA-N
Formula	C41H60N4O7	Molecular Weight	720.94
Cross Link	CHEMBL353204
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

27413 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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