1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:127573)

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CHEBI:127573 - 1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

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ChEBI ID	CHEBI:127573
ChEBI Name	1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
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Formula	C29H40N4O6
Net Charge	0
Average Mass	540.661
Monoisotopic Mass	540.29478
SMILES	CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)O2
InChI	InChI=1S/C29H40N4O6/c1-18(2)30-29(36)31-23-7-9-24-22(11-23)12-28(35)33(20(4)16-34)13-19(3)27(39-24)15-32(5)14-21-6-8-25-26(10-21)38-17-37-25/h6-11,18-20,27,34H,12-17H2,1-5H3,(H2,30,31,36)/t19-,20-,27-/m1/s1
InChIKey	LBSHWJURJCXAHO-SEXOINJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:127573) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-39130	LINCS