4-chloro-N-[(2S,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]benzenesulfonamide (CHEBI:128853)

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CHEBI:128853 - 4-chloro-N-[(2S,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]benzenesulfonamide

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ChEBI ID	CHEBI:128853
ChEBI Name	4-chloro-N-[(2S,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]benzenesulfonamide
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Downloads	Molfile

Formula	C30H33ClF3N3O5S
Net Charge	0
Average Mass	640.124
Monoisotopic Mass	639.17815
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C30H33ClF3N3O5S/c1-19-15-37(20(2)18-38)29(39)26-14-24(35-43(40,41)25-11-8-23(31)9-12-25)10-13-27(26)42-28(19)17-36(3)16-21-4-6-22(7-5-21)30(32,33)34/h4-14,19-20,28,35,38H,15-18H2,1-3H3/t19-,20-,28+/m0/s1
InChIKey	SYWCYXHAIYXQLV-URCRQUEMSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-chloro-N-[(2S,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]benzenesulfonamide (CHEBI:128853) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-40405	LINCS