3-[[6,8-bis(fluoranyl)-7-[(4H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(butylsulfonylamino)propanoic acid

Systemtic Name: 3-[[6,8-bis(fluoranyl)-7-[(4H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(butylsulfonylamino)propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[[6,8-difluoro-7-[(4H-imidazol-2-ylamino)methyl]-1-methyl-4-oxo-quinoline-3-carbonyl]amino]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[[[6,8-difluoro-7-[(4H-imidazol-2-ylamino)methyl]-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[[6,8-difluoro-7-[(4H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[[6,8-difluoro-7-[(4H-imidazol-2-ylamino)methyl]-4-keto-1-methyl-quinoline-3-carbonyl]amino]propionic acid Formula: C22H26F2N6O6S MolecularWeight: 540.540246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CNC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)CNC3=NCC=N3)F)C)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CNC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)CNC3=NCC=N3)F)C)C(=O)O

InChI

InChI=1S/C22H26F2N6O6S/c1-3-4-7-37(35,36)29-16(21(33)34)10-27-20(32)14-11-30(2)18-12(19(14)31)8-15(23)13(17(18)24)9-28-22-25-5-6-26-22/h5,8,11,16,29H,3-4,6-7,9-10H2,1-2H3,(H,26,28)(H,27,32)(H,33,34)