1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:93665)

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CHEBI:93665 - 1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

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ChEBI ID	CHEBI:93665
ChEBI Name	1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C43H53FN4O8S
Net Charge	0
Average Mass	804.982
Monoisotopic Mass	804.35681
SMILES	COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C2=O)cc1
InChI	InChI=1S/C43H53FN4O8S/c1-30-26-48(31(2)28-54-29-33-14-19-37(53-5)20-15-33)42(49)39-25-36(46-43(50)45-35-12-7-6-8-13-35)18-23-40(39)56-32(3)11-9-10-24-55-41(30)27-47(4)57(51,52)38-21-16-34(44)17-22-38/h6-8,12-23,25,30-32,41H,9-11,24,26-29H2,1-5H3,(H2,45,46,50)/t30-,31+,32+,41+/m1/s1
InChIKey	NJCFHVZVQQXDMT-FBYVDAEASA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:93665) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10R)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-12-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:93665) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-4139	LINCS