CFam Chemical Families Database
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You are searching for "CFAMM00153348" in compound.

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CFAM Mol ID CFAMM00153348
Family CFFCD367 Beta-3 adrenergic receptor Ligand Amibegron Family
Superfamily CFSAD80 Adrenergic receptor ligand Propranolol Levobunolol Metipranolol Superfamily
Class CFCAD80 Class 80
External ID CHEMBL293525 External Source CHEMBL
PubChem CID 463285 Functional Category Bioactive
Molecule Name 162540-93-4
IUPAC Name 2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid
Synonyms 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(carboxymethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3S-(3R*,4S*,8S*,9R*))-;12-Oxa-2,6,10-triazatetradecanoic acid, 3-[[4-(carboxymethoxy)phenyl]methyl]-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, [3S-(3R*,4S*,8S*,9R*)]-;AC1LA7QK;(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(carboxymethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester;[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-(carboxymethoxy)phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester;2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid
InChi InChI=1S/C32H47N3O9/c1-31(2,3)43-29(40)34-24(16-21-10-8-7-9-11-21)26(36)18-33-19-27(37)25(35-30(41)44-32(4,5)6)17-22-12-14-23(15-13-22)42-20-28(38)39/h7-15,24-27,33,36-37H,16-20H2,1-6H3,(H,34,40)(H,35,41)(H,38,39)/t24-,25-,26+,27+/m0/s1
InChiKey GZBTUYAWGJLZRH-GWMMUDDPSA-N
Formula C32H47N3O9 Molecular Weight 617.73
Cross Link CHEMBL293525
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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National University of Singapore, Singapore


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