3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:124795)

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CHEBI:124795 - 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:124795
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
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Downloads	Molfile

Formula	C27H36N4O6
Net Charge	0
Average Mass	512.607
Monoisotopic Mass	512.26348
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C27H36N4O6/c1-17-13-31(18(2)15-32)26(33)11-19-10-21(29(3)4)7-9-22(19)37-25(17)14-30(5)27(34)28-20-6-8-23-24(12-20)36-16-35-23/h6-10,12,17-18,25,32H,11,13-16H2,1-5H3,(H,28,34)/t17-,18-,25+/m0/s1
InChIKey	UVGUUEZCVXVZPI-DPOKWSEZSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:124795) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-36237	LINCS