1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117789)

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CHEBI:117789 - 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea

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ChEBI ID	CHEBI:117789
ChEBI Name	1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea
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Downloads	Molfile

Formula	C33H50N4O6
Net Charge	0
Average Mass	598.785
Monoisotopic Mass	598.37304
SMILES	CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C33H50N4O6/c1-7-17-36(5)21-31-23(2)20-37(24(3)22-38)32(39)29-19-27(13-16-30(29)43-25(4)10-8-9-18-42-31)35-33(40)34-26-11-14-28(41-6)15-12-26/h11-16,19,23-25,31,38H,7-10,17-18,20-22H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,31-/m0/s1
InChIKey	QAGMOHWNXLCFPJ-UMDYSXRGSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117789) is a azamacrocycle (CHEBI:52898)
	1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117789) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29238	LINCS