N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:123636)

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CHEBI:123636 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

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ChEBI ID	CHEBI:123636
ChEBI Name	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
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Downloads	Molfile

Formula	C25H32F3N3O5S
Net Charge	0
Average Mass	543.608
Monoisotopic Mass	543.20148
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O
InChI	InChI=1S/C25H32F3N3O5S/c1-16-12-31(17(2)15-32)24(33)20-6-5-7-21(29-37(4,34)35)23(20)36-22(16)14-30(3)13-18-8-10-19(11-9-18)25(26,27)28/h5-11,16-17,22,29,32H,12-15H2,1-4H3/t16-,17+,22+/m0/s1
InChIKey	GHSBNWVRWBOOLF-GSHUGGBRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:123636) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-35078	LINCS