CHEBI:128996 - N-[(2S,3S)-5-[(2R)-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]-3,5-dimethyl-4-isoxazolesulfonamide

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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide
ChEBI ID CHEBI:128996
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H37F3N4O6S
Net Charge 0
Average Mass 638.700
Monoisotopic Mass 638.23859
InChI InChI=1S/C30H37F3N4O6S/c1-18-14-37(19(2)17-38)28(39)13-23-12-25(35-44(40,41)29-20(3)34-43-21(29)4)10-11-26(23)42-27(18)16-36(5)15-22-6-8-24(9-7-22)30(31,32)33/h6-12,18-19,27,35,38H,13-17H2,1-5H3/t18-,19+,27+/m0/s1
InChIKey HGHHOHQGISPNNA-DSNGTPCMSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:128996) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-40548 LINCS
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