CFAM Mol ID	CFAMM00306260
Family	CFFBM44 Renin inhibitor (2S,4S,5S)-N-butyl-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanamide family
Superfamily	CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class	CFCAD607 Class 607
External ID	CHEMBL103905	External Source	CHEMBL
PubChem CID	10101650	Functional Category	Bioactive
Molecule Name	(2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[3-(2-hydroxyethylamino)propyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanamide
IUPAC Name	(2S,4S,5S)-6-cyclohexyl-4-hydroxy-N-[3-(2-hydroxyethylamino)propyl]-5-[[(2S)-2-[[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanoyl]amino]-2-propan-2-ylhexanamide
Synonyms	CHEBI:266696
InChi	InChI=1S/C42H73N5O7/c1-5-6-18-36(45-38(28-33-16-11-8-12-17-33)42(52)47-24-19-34(20-25-47)54-30-53-4)41(51)46-37(27-32-14-9-7-10-15-32)39(49)29-35(31(2)3)40(50)44-22-13-21-43-23-26-48/h8,11-12,16-17,31-32,34-39,43,45,48-49H,5-7,9-10,13-15,18-30H2,1-4H3,(H,44,50)(H,46,51)/t35-,36-,37-,38-,39-/m0/s1
InChiKey	XNHONUPMEWIJMK-MQDBWYGVSA-N
Formula	C42H73N5O7	Molecular Weight	760.06
Cross Link	CHEMBL103905
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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