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CHEBI:113786 - N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide

ChEBI IDCHEBI:113786
ChEBI NameN-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide
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FormulaC24H32FN3O5S
Net Charge0
Average Mass493.601
Monoisotopic Mass493.20467
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O
InChIInChI=1S/C24H32FN3O5S/c1-16-13-28(17(2)15-29)24(30)12-18-11-20(7-10-22(18)33-23(16)14-27(3)4)26-34(31,32)21-8-5-19(25)6-9-21/h5-11,16-17,23,26,29H,12-15H2,1-4H3/t16-,17+,23+/m0/s1
InChIKeyVCRKNKMPQDEVAF-YGKZAACZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide (CHEBI:113786) is a sulfonamide (CHEBI:35358)
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LSM-25218LINCS