EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130089 - 1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:130089
ChEBI Name1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
Stars
DownloadsMolfile
FormulaC34H50N4O6
Net Charge0
Average Mass610.796
Monoisotopic Mass610.37304
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)O3)cc1
InChIInChI=1S/C34H50N4O6/c1-23-19-38(24(2)22-39)33(40)30-18-28(36-34(41)35-27-11-14-29(42-5)15-12-27)13-16-31(30)44-25(3)8-6-7-17-43-32(23)21-37(4)20-26-9-10-26/h11-16,18,23-26,32,39H,6-10,17,19-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25-,32+/m0/s1
InChIKeyNRXGVPPIKRTMIX-JUVNKOCGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:130089) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:130089) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-41639LINCS