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]-4-methylbenzenesulfonamide (CHEBI:129743)

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CHEBI:129743 - 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]-4-methylbenzenesulfonamide

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ChEBI ID	CHEBI:129743
ChEBI Name	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]-4-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C31H36F3N3O5S
Net Charge	0
Average Mass	619.706
Monoisotopic Mass	619.23278
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1
InChI	InChI=1S/C31H36F3N3O5S/c1-20-5-12-26(13-6-20)43(40,41)35-25-11-14-28-27(15-25)30(39)37(22(3)19-38)16-21(2)29(42-28)18-36(4)17-23-7-9-24(10-8-23)31(32,33)34/h5-15,21-22,29,35,38H,16-19H2,1-4H3/t21-,22-,29-/m0/s1
InChIKey	KKKDQAKEJFSYEE-SYZUXVNWSA-N

ChEBI Ontology

Outgoing Relation(s)
	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]-4-methylbenzenesulfonamide (CHEBI:129743) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-41294	LINCS