CFAM Mol ID	CFAMM00225882
Family	CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily	CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class	CFCCD46 Class 859
External ID	CHEMBL22907	External Source	CHEMBL
PubChem CID	44458537	Functional Category	Bioactive
Molecule Name	(3S)-4-[[(Z)-6-acetamido-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-enoyl]amino]-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide
IUPAC Name	(3S)-4-[[(Z)-6-acetamido-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-enoyl]amino]-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide
Synonyms	CHEBI:129241
InChi	InChI=1S/C45H58N4O5/c1-6-31(4)29-47-43(52)28-42(51)41(25-30(2)3)49-45(54)40(23-11-12-24-46-32(5)50)48-44(53)37(26-35-19-13-17-33-15-7-9-21-38(33)35)27-36-20-14-18-34-16-8-10-22-39(34)36/h7-22,30-31,37,40-42,51H,6,23-29H2,1-5H3,(H,46,50)(H,47,52)(H,48,53)(H,49,54)/b12-11-/t31?,40?,41?,42-/m0/s1
InChiKey	MZEKVVJCMBYYLX-FUIUPQBUSA-N
Formula	C45H58N4O5	Molecular Weight	734.97
Cross Link	CHEMBL22907
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

27396 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

All rights reserved.