1-[(3S,9S,10R)-9-[[cyclohexylmethyl(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:127257)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127257 - 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(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

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:127257
ChEBI Name	1-[(3S,9S,10R)-9-[[cyclohexylmethyl(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
Downloads	Molfile

Formula	C37H56N4O6
Net Charge	0
Average Mass	652.877
Monoisotopic Mass	652.41999
SMILES	COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C37H56N4O6/c1-26-22-41(27(2)25-42)36(43)33-21-31(39-37(44)38-30-14-17-32(45-5)18-15-30)16-19-34(33)47-28(3)11-9-10-20-46-35(26)24-40(4)23-29-12-7-6-8-13-29/h14-19,21,26-29,35,42H,6-13,20,22-25H2,1-5H3,(H2,38,39,44)/t26-,27-,28+,35-/m1/s1
InChIKey	BACUFSHCHJQBQC-RIKJNLPISA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-9-[[cyclohexylmethyl(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:127257) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-9-[[cyclohexylmethyl(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:127257) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38817	LINCS