1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(1-naphthalenyl)urea (CHEBI:110895)

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CHEBI:110895 - 1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(1-naphthalenyl)urea

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ChEBI ID	CHEBI:110895
ChEBI Name	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(1-naphthalenyl)urea
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Formula	C34H46N4O5
Net Charge	0
Average Mass	590.765
Monoisotopic Mass	590.34682
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C
InChI	InChI=1S/C34H46N4O5/c1-23-20-38(24(2)22-39)33(40)29-19-27(35-34(41)36-30-15-10-13-26-12-6-7-14-28(26)30)16-17-31(29)43-25(3)11-8-9-18-42-32(23)21-37(4)5/h6-7,10,12-17,19,23-25,32,39H,8-9,11,18,20-22H2,1-5H3,(H2,35,36,41)/t23-,24+,25+,32-/m1/s1
InChIKey	HBVPERRGRWZCML-FLWJLJKUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(1-naphthalenyl)urea (CHEBI:110895) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-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-(1-naphthalenyl)urea (CHEBI:110895) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22339	LINCS