N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide (CHEBI:111810)

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CHEBI:111810 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide

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ChEBI ID	CHEBI:111810
ChEBI Name	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
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Formula	C31H42N4O6
Net Charge	0
Average Mass	566.699
Monoisotopic Mass	566.31044
SMILES	COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NC(=O)C4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C31H42N4O6/c1-20-17-35(21(2)19-36)30(38)25-11-8-12-26(33-29(37)22-9-6-5-7-10-22)28(25)41-27(20)18-34(3)31(39)32-23-13-15-24(40-4)16-14-23/h8,11-16,20-22,27,36H,5-7,9-10,17-19H2,1-4H3,(H,32,39)(H,33,37)/t20-,21-,27-/m1/s1
InChIKey	LSKFJJLXCXBANC-LGVUCKNBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide (CHEBI:111810) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-23223	LINCS