CFAM Mol ID	CFAMM00225773
Family	CFFID1044 Beta-secretase 1 Inhibitor MMI-175 Family
Superfamily	CFSCD52 Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Superfamily
Class	CFCCD46 Class 859
External ID	CHEMBL105130	External Source	CHEMBL
PubChem CID	44421238	Functional Category	Bioactive
Molecule Name	methyl (2R)-2-[[(2R)-2-[[benzyl-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate
IUPAC Name	methyl (2R)-2-[[(2R)-2-[[benzyl-[(2R,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoate
Synonyms	CHEBI:472792
InChi	InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
InChiKey	WRXCRVWEQSXNRB-OMRVPHBLSA-N
Formula	C36H54N4O7	Molecular Weight	654.84
Cross Link	CHEMBL105130
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

48692 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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