1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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:129253)

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CHEBI:129253 - 1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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:129253
ChEBI Name	1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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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Last Modified	3 March 2016
Downloads	Molfile

Formula	C41H52N4O6
Net Charge	0
Average Mass	696.889
Monoisotopic Mass	696.38869
SMILES	COc1ccc(CN(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc45)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C41H52N4O6/c1-28-24-45(29(2)27-46)40(47)36-23-33(42-41(48)43-37-15-10-13-32-12-6-7-14-35(32)37)18-21-38(36)51-30(3)11-8-9-22-50-39(28)26-44(4)25-31-16-19-34(49-5)20-17-31/h6-7,10,12-21,23,28-30,39,46H,8-9,11,22,24-27H2,1-5H3,(H2,42,43,48)/t28-,29-,30-,39+/m0/s1
InChIKey	KGUBXXXSQYSQMA-BOTYAZHASA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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:129253) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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:129253) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40804	LINCS