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CHEBI:124493 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:124493
ChEBI NameN-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide
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FormulaC20H29N5O5S
Net Charge0
Average Mass451.549
Monoisotopic Mass451.18894
SMILESCNC[C@H]1Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C20H29N5O5S/c1-13-9-25(14(2)11-26)20(27)16-7-15(5-6-17(16)30-18(13)8-21-3)23-31(28,29)19-10-24(4)12-22-19/h5-7,10,12-14,18,21,23,26H,8-9,11H2,1-4H3/t13-,14-,18+/m0/s1
InChIKeyGRHNBKJIURRPED-SUNYJGFJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124493) is a sulfonamide (CHEBI:35358)
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LSM-35935LINCS