CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00103006" 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.

Search Results

CFAM Mol ID CFAMM00103006
Family CFFAD805 Renin Inhibitor Aliskiren Family
Superfamily CFSAD674 Renin Inhibitor Aliskiren Superfamily
Class CFCAD609 Class 609
External ID 54188229 External Source PubChem
PubChem CID 54188229 Functional Category Patent Compound
Molecule Name
IUPAC Name tert-butyl N-[(3S,5S,6S,8S)-8-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]carbamoyl]-6-hydroxy-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyldecan-5-yl]carbamate
Synonyms
InChi InChI=1S/C35H60N4O9/c1-21(2)24(17-23-11-13-29(46-9)30(18-23)47-16-10-15-45-8)19-27(39-34(44)48-35(5,6)7)28(40)20-25(22(3)4)33(43)38-26(32(37)42)12-14-31(36)41/h11,13,18,21-22,24-28,40H,10,12,14-17,19-20H2,1-9H3,(H2,36,41)(H2,37,42)(H,38,43)(H,39,44)/t24-,25-,26-,27-,28-/m0/s1
InChiKey PGQFYYJKZSYERT-XLIKFSOKSA-N
Formula C35H60N4O9 Molecular Weight 680.87
Cross Link
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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