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-(1-naphthalenyl)urea (CHEBI:111132)

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CHEBI:111132 - 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-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:111132
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-(1-naphthalenyl)urea
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Formula	C33H44N4O5
Net Charge	0
Average Mass	576.738
Monoisotopic Mass	576.33117
SMILES	CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C33H44N4O5/c1-22-20-37(23(2)21-38)32(39)28-18-26(35-33(40)36-29-14-9-12-25-11-5-6-13-27(25)29)15-16-30(28)42-24(3)10-7-8-17-41-31(22)19-34-4/h5-6,9,11-16,18,22-24,31,34,38H,7-8,10,17,19-21H2,1-4H3,(H2,35,36,40)/t22-,23+,24-,31-/m0/s1
InChIKey	DSXVWRRZDLHRDJ-PKWXPSSRSA-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-(1-naphthalenyl)urea (CHEBI:111132) 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-(1-naphthalenyl)urea (CHEBI:111132) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22575	LINCS