N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124853)

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CHEBI:124853 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

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ChEBI ID	CHEBI:124853
ChEBI Name	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
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Downloads	Molfile

Formula	C26H34F3N3O5S
Net Charge	0
Average Mass	557.635
Monoisotopic Mass	557.21713
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C26H34F3N3O5S/c1-17-13-32(18(2)16-33)25(34)12-20-11-22(30-38(4,35)36)9-10-23(20)37-24(17)15-31(3)14-19-5-7-21(8-6-19)26(27,28)29/h5-11,17-18,24,30,33H,12-16H2,1-4H3/t17-,18+,24-/m1/s1
InChIKey	YVPPWHBSXPUNSW-NXMSCROESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124853) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-36295	LINCS