3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113769)

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CHEBI:113769 - 3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:113769
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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Formula	C26H34N4O6
Net Charge	0
Average Mass	498.580
Monoisotopic Mass	498.24783
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C26H34N4O6/c1-16-12-30(17(2)14-31)25(32)19-7-6-8-20(28(3)4)24(19)36-23(16)13-29(5)26(33)27-18-9-10-21-22(11-18)35-15-34-21/h6-11,16-17,23,31H,12-15H2,1-5H3,(H,27,33)/t16-,17+,23-/m1/s1
InChIKey	DFCREXDAKHJSKD-SAHWJRBASA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113769) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-25201	LINCS