1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:128515)

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CHEBI:128515 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

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ChEBI ID	CHEBI:128515
ChEBI Name	1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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Formula	C37H40N4O7
Net Charge	0
Average Mass	652.748
Monoisotopic Mass	652.28970
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C37H40N4O7/c1-24-19-41(25(2)22-42)36(43)31-17-27(38-37(44)39-28-12-16-33-34(18-28)46-23-45-33)11-15-32(31)48-35(24)21-40(3)20-26-9-13-30(14-10-26)47-29-7-5-4-6-8-29/h4-18,24-25,35,42H,19-23H2,1-3H3,(H2,38,39,44)/t24-,25-,35-/m1/s1
InChIKey	SIHGKWCNYKQFFR-YJYIJQSESA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:128515) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-40069	LINCS