1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117708)

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CHEBI:117708 - 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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:117708
ChEBI Name	1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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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Formula	C30H44N4O6
Net Charge	0
Average Mass	556.704
Monoisotopic Mass	556.32609
SMILES	CNC[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/C30H44N4O6/c1-20-18-34(21(2)19-35)29(36)26-16-24(33-30(37)32-23-9-12-25(38-5)13-10-23)11-14-27(26)40-22(3)8-6-7-15-39-28(20)17-31-4/h9-14,16,20-22,28,31,35H,6-8,15,17-19H2,1-5H3,(H2,32,33,37)/t20-,21+,22-,28-/m0/s1
InChIKey	QZYXNEJVPTWBHC-QBMQIYCRSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117708) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117708) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29157	LINCS