1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:108824)

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CHEBI:108824 - 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

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ChEBI ID	CHEBI:108824
ChEBI Name	1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
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Formula	C30H37N5O7
Net Charge	0
Average Mass	579.654
Monoisotopic Mass	579.26930
SMILES	Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@H](C)CO)C2=O
InChI	InChI=1S/C30H37N5O7/c1-17-12-35(18(2)15-36)29(37)22-7-6-8-23(31-30(38)32-27-19(3)33-42-20(27)4)28(22)41-26(17)14-34(5)13-21-9-10-24-25(11-21)40-16-39-24/h6-11,17-18,26,36H,12-16H2,1-5H3,(H2,31,32,38)/t17-,18+,26-/m0/s1
InChIKey	ROWKUSIEMFYXMA-DFXHWTJYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:108824) is a benzodioxoles (CHEBI:38298)

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LSM-20223	LINCS