4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:113794)

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CHEBI:113794 - 4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

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ChEBI ID	CHEBI:113794
ChEBI Name	4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
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Downloads	Molfile

Formula	C30H41F3N4O4
Net Charge	0
Average Mass	578.676
Monoisotopic Mass	578.30799
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C30H41F3N4O4/c1-20-16-37(21(2)19-38)29(40)25-15-24(34-28(39)7-6-14-35(3)4)12-13-26(25)41-27(20)18-36(5)17-22-8-10-23(11-9-22)30(31,32)33/h8-13,15,20-21,27,38H,6-7,14,16-19H2,1-5H3,(H,34,39)/t20-,21-,27-/m0/s1
InChIKey	DDFOXWCTSAMXEO-IZVMNLJQSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:113794) is a (trifluoromethyl)benzenes (CHEBI:83565)

Manual Xrefs	Databases
LSM-25226	LINCS