EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:129709 - 4-chloro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

ChEBI IDCHEBI:129709
ChEBI Name4-chloro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC36H48ClN3O7S
Net Charge0
Average Mass702.314
Monoisotopic Mass701.29015
SMILESCOc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C36H48ClN3O7S/c1-25-21-40(26(2)24-41)36(42)33-20-30(38-48(43,44)32-16-11-29(37)12-17-32)13-18-34(33)47-27(3)8-6-7-19-46-35(25)23-39(4)22-28-9-14-31(45-5)15-10-28/h9-18,20,25-27,35,38,41H,6-8,19,21-24H2,1-5H3/t25-,26-,27-,35+/m0/s1
InChIKeyXCDXHIWIDBQVIT-BYIYZAFRSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:129709) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:129709) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-41260LINCS