N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:127531)

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CHEBI:127531 - N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

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ChEBI ID	CHEBI:127531
ChEBI Name	N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
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Formula	C29H35N3O6
Net Charge	0
Average Mass	521.614
Monoisotopic Mass	521.25259
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)C(=O)c1ccc2c(c1)OCO2
InChI	InChI=1S/C29H35N3O6/c1-18-14-32(19(2)16-33)29(35)23-11-22(20-7-5-4-6-8-20)13-30-27(23)38-26(18)15-31(3)28(34)21-9-10-24-25(12-21)37-17-36-24/h7,9-13,18-19,26,33H,4-6,8,14-17H2,1-3H3/t18-,19+,26-/m1/s1
InChIKey	XVXFMFGGORUBAO-UYXZNNOOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:127531) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-39089	LINCS