N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:124555)

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CHEBI:124555 - N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

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ChEBI ID	CHEBI:124555
ChEBI Name	N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
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Downloads	Molfile

Formula	C28H33F3N4O7
Net Charge	0
Average Mass	594.587
Monoisotopic Mass	594.23013
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc2c(c1)OCO2
InChI	InChI=1S/C28H33F3N4O7/c1-16-12-35(17(2)14-36)26(38)20-10-18(32-25(37)8-9-28(29,30)31)4-6-21(20)42-24(16)13-34(3)27(39)33-19-5-7-22-23(11-19)41-15-40-22/h4-7,10-11,16-17,24,36H,8-9,12-15H2,1-3H3,(H,32,37)(H,33,39)/t16-,17+,24-/m1/s1
InChIKey	FZONNXCMVIPZJC-XVTZWQNCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (CHEBI:124555) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-35997	LINCS