CFam Chemical Families Database
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You are searching for "CFAMM00036681" in compound.

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CFAM Mol ID CFAMM00036681
Family CFFAD206 Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family
Superfamily CFSAD62 adrenergic receptor ligand catecholamine Superfamily
Class CFCAD62 Class 62
External ID CHEMBL60357 External Source CHEMBL
PubChem CID 455713 Functional Category Bioactive
Molecule Name 162538-18-3
IUPAC Name tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Synonyms Aminodiol deriv. 15b;12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-hydroxyphenyl)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-hydroxyphenyl)methyl]-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-;AC1L9TFE;BMS-186318 analog 4;Aminodiol isostere, Bn 4OHBn deriv.;(1S-(1R*,2S*(2S,3R*)))-[3-[[3-[[(1,1-Dimethylethylethoxy)carbonyl]amino]-2-hydroxy-4-(4-hydroxyphenyl)butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethylethyl ester;(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethylethoxy)carbonyl)amino)-2-hydroxy-4-(4-hydroxyphenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic acid, 1,1-dimethylethyl ester;tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C30H45N3O7/c1-29(2,3)39-27(37)32-23(16-20-10-8-7-9-11-20)25(35)18-31-19-26(36)24(33-28(38)40-30(4,5)6)17-21-12-14-22(34)15-13-21/h7-15,23-26,31,34-36H,16-19H2,1-6H3,(H,32,37)(H,33,38)/t23-,24-,25+,26+/m0/s1
InChiKey QVGOLNUEBCOLGS-QEGGNFSNSA-N
Formula C30H45N3O7 Molecular Weight 559.69
Cross Link CHEMBL60357
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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