N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:127709)

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CHEBI:127709 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

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ChEBI ID	CHEBI:127709
ChEBI Name	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
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Downloads	Molfile

Formula	C32H35F3N4O5
Net Charge	0
Average Mass	612.649
Monoisotopic Mass	612.25595
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C32H35F3N4O5/c1-20-17-39(21(2)19-40)30(42)26-16-25(36-29(41)15-22-7-5-4-6-8-22)13-14-27(26)44-28(20)18-38(3)31(43)37-24-11-9-23(10-12-24)32(33,34)35/h4-14,16,20-21,28,40H,15,17-19H2,1-3H3,(H,36,41)(H,37,43)/t20-,21+,28-/m1/s1
InChIKey	PRDAOTFPZPBVJB-PHVLTXCSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:127709) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-39266	LINCS