N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:124055)

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CHEBI:124055 - N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide

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ChEBI ID	CHEBI:124055
ChEBI Name	N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
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Formula	C29H36N4O7
Net Charge	0
Average Mass	552.628
Monoisotopic Mass	552.25840
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C29H36N4O7/c1-17-13-33(18(2)15-34)27(35)11-20-10-21(30-28(36)19-4-5-19)6-8-23(20)40-26(17)14-32(3)29(37)31-22-7-9-24-25(12-22)39-16-38-24/h6-10,12,17-19,26,34H,4-5,11,13-16H2,1-3H3,(H,30,36)(H,31,37)/t17-,18-,26-/m0/s1
InChIKey	YDROTQNFRPJPRD-XWXLMPLOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:124055) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-35497	LINCS