EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128593 - N-[[(3S,9S,10S)-16-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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-9-yl]methyl]-N-methylcyclohexanecarboxamide

ChEBI IDCHEBI:128593
ChEBI NameN-[[(3S,9S,10S)-16-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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-9-yl]methyl]-N-methylcyclohexanecarboxamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H53N5O7
Net Charge0
Average Mass655.837
Monoisotopic Mass655.39450
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)OCCCC[C@H](C)O2
InChIInChI=1S/C35H53N5O7/c1-22-19-40(23(2)21-41)34(43)29-18-28(36-35(44)37-32-25(4)38-47-26(32)5)15-16-30(29)46-24(3)12-10-11-17-45-31(22)20-39(6)33(42)27-13-8-7-9-14-27/h15-16,18,22-24,27,31,41H,7-14,17,19-21H2,1-6H3,(H2,36,37,44)/t22-,23+,24-,31+/m0/s1
InChIKeyFHADXZSABCGRQM-PHSVBEEISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3S,9S,10S)-16-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:128593) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9S,10S)-16-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-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-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:128593) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-40147LINCS