3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(methylsulfonylamino)propanoic acid

Systemtic Name: 3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-(methylsulfonylamino)propanoic acid Openeye Name: 3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxo-quinoline-3-carbonyl]amino]-2-(methanesulfonamido)propanoic acid CAS Name: 3-[[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]-2-(methanesulfonamido)propanoic acid IUPAC Name: 3-[[7-[(1H-imidazol-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]-2-(methanesulfonamido)propanoic acid Traditional Name: 3-[[7-[(1H-imidazol-2-ylamino)methyl]-4-keto-1-methyl-quinoline-3-carbonyl]amino]-2-(methanesulfonamido)propionic acid Formula: C19H22N6O6S MolecularWeight: 462.47958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)NCC(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)CNC3=NC=CN3)C(=O)NCC(C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C19H22N6O6S/c1-25-10-13(17(27)22-9-14(18(28)29)24-32(2,30)31)16(26)12-4-3-11(7-15(12)25)8-23-19-20-5-6-21-19/h3-7,10,14,24H,8-9H2,1-2H3,(H,22,27)(H,28,29)(H2,20,21,23)