H59

N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide


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Chemical Component Summary

NameN-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
IdentifiersN-[3-[(5S)-1-[(4-fluoro-3-methyl-phenyl)methyl]-4-hydroxy-5-(2-methylbutan-2-yl)-2-oxo-5H-pyrrol-3-yl]-1,1-dioxo-4H-benzo[b][1,4]thiazin-7-yl]methanesulfonamide
FormulaC26 H30 F N3 O6 S2
Molecular Weight563.661
TypeNON-POLYMER
Isomeric SMILESCCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O
InChIInChI=1S/C26H30FN3O6S2/c1-6-26(3,4)24-23(31)22(25(32)30(24)13-16-7-9-18(27)15(2)11-16)20-14-38(35,36)21-12-17(29-37(5,33)34)8-10-19(21)28-20/h7-12,14,24,28-29,31H,6,13H2,1-5H3/t24-/m1/s1
InChIKeyFIWSMJXHIVIUAK-XMMPIXPASA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count1
Bond Count71
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 54728387
ChEMBL CHEMBL585383