CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00306255" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00306255
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 CHEMBL101074 External Source CHEMBL
PubChem CID 10078848 Functional Category Bioactive
Molecule Name ethyl 3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propanoate
IUPAC Name ethyl 3-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]propanoate
Synonyms CHEBI:266747
InChi InChI=1S/C42H69N3O9/c1-6-8-19-37(54-38(27-32-17-13-10-14-18-32)42(50)45-24-21-33(22-25-45)53-29-51-5)41(49)44-35(26-31-15-11-9-12-16-31)36(46)28-34(30(3)4)40(48)43-23-20-39(47)52-7-2/h10,13-14,17-18,30-31,33-38,46H,6-9,11-12,15-16,19-29H2,1-5H3,(H,43,48)(H,44,49)/t34-,35-,36-,37-,38-/m0/s1
Formula C42H69N3O9 Molecular Weight 760.01
Cross Link CHEMBL101074

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).

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