3-[[7-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-quinolin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[7-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-quinolin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[7-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6,8-difluoro-4-oxo-1-phenethyl-quinoline-3-carbonyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[7-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6,8-difluoro-4-oxo-1-phenethyl-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[7-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6,8-difluoro-4-oxo-1-phenethylquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[6,8-difluoro-7-[(2-imidazolin-2-ylamino)methyl]-4-keto-1-phenethyl-quinoline-3-carbonyl]amino]propionic acid Formula: C31H30F2N6O6S MolecularWeight: 652.668306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCC2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)CCC5=CC=CC=C5)F

Isomeric SMILES

C1CN=C(N1)NCC2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4)CCC5=CC=CC=C5)F

InChI

InChI=1S/C31H30F2N6O6S/c32-24-15-21-27(26(33)22(24)16-37-31-34-12-13-35-31)39(14-11-19-7-3-1-4-8-19)18-23(28(21)40)29(41)36-17-25(30(42)43)38-46(44,45)20-9-5-2-6-10-20/h1-10,15,18,25,38H,11-14,16-17H2,(H,36,41)(H,42,43)(H2,34,35,37)