CFam Chemical Families Database
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You are searching for "CFAMM00043831" in compound.

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CFAM Mol ID CFAMM00043831
Family CFFAD249 Beta-1 adrenergic receptor Ligand Metoprolol Family
Superfamily CFSAD220 adrenergic receptor ligand Esmolol Metoprolol Superfamily
Class CFCAD149 Class 149
External ID CHEMBL291506 External Source CHEMBL
PubChem CID 463284 Functional Category Bioactive
Molecule Name 162541-04-0
IUPAC Name tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Synonyms 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxy-2-methylpropoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-;12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-[[4-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-;AC1LA7QH;BMS-186318 analog 14;(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-hydroxy-2-methylpropoxy)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-(2-hydroxy-2-methylpropoxy)phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl es;tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-(2-hydroxy-2-methylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C34H53N3O8/c1-32(2,3)44-30(40)36-26(18-23-12-10-9-11-13-23)28(38)20-35-21-29(39)27(37-31(41)45-33(4,5)6)19-24-14-16-25(17-15-24)43-22-34(7,8)42/h9-17,26-29,35,38-39,42H,18-22H2,1-8H3,(H,36,40)(H,37,41)/t26-,27-,28+,29+/m0/s1
InChiKey IWDXCNVEWVCNBM-QUAHOIDUSA-N
Formula C34H53N3O8 Molecular Weight 631.80
Cross Link CHEMBL291506
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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