CFam Chemical Families Database
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You are searching for "CFAMM00346061" in compound.

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CFAM Mol ID CFAMM00346061
Family CFFBM3387 Somatostatin receptor type 2 ligand tert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-(2-hydroxy-2,2-diphenylacetyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID CHEMBL134163 External Source CHEMBL
PubChem CID 44354586 Functional Category Bioactive
Molecule Name tert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-(2-hydroxy-2,2-diphenylacetyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
IUPAC Name tert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-(2-hydroxy-2,2-diphenylacetyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
Synonyms CHEBI:320213
InChi InChI=1S/C42H53N5O6/c1-28(33-26-44-34-22-12-11-21-32(33)34)36(38(49)45-35(23-13-14-24-43)39(50)53-41(2,3)4)46-37(48)29-16-15-25-47(27-29)40(51)42(52,30-17-7-5-8-18-30)31-19-9-6-10-20-31/h5-12,17-22,26,28-29,35-36,44,52H,13-16,23-25,27,43H2,1-4H3,(H,45,49)(H,46,48)/t28-,29?,35-,36?/m0/s1
InChiKey FGPWKQDCRNZBSW-QMCDJOSCSA-N
Formula C42H53N5O6 Molecular Weight 723.90
Cross Link CHEMBL134163
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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