N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:108686)

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CHEBI:108686 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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:108686
ChEBI Name	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]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	C29H37N3O6
Net Charge	0
Average Mass	523.630
Monoisotopic Mass	523.26824
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C29H37N3O6/c1-18-13-32(19(2)16-33)28(34)12-22-11-23(30-29(35)21-5-6-21)7-9-24(22)38-27(18)15-31(3)14-20-4-8-25-26(10-20)37-17-36-25/h4,7-11,18-19,21,27,33H,5-6,12-17H2,1-3H3,(H,30,35)/t18-,19+,27+/m1/s1
InChIKey	WXJCYEGRNWVSCE-RYTUXRKISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:108686) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-20085	LINCS