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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:123636
Stars This entity has been manually annotated by a third party.
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Formula C25H32F3N3O5S
Net Charge 0
Average Mass 543.601
Monoisotopic Mass 543.20148
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
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing 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 Xref Database
LSM-35078 LINCS
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