4-[[(2Z)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylcarbamoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[(2Z)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylcarbamoylamino]-3-oxidanyl-butanoic acid Openeye Name: 4-[[(2Z)-2-(4-amino-5-fluoro-2-oxo-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methylcarbamoylamino]-3-hydroxy-butanoic acid CAS Name: 4-[[[[(2Z)-2-(4-amino-5-fluoro-2-oxo-3-quinolinylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 4-[[(2Z)-2-(4-amino-5-fluoro-2-oxoquinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid Traditional Name: 4-[[(2Z)-2-(4-amino-5-fluoro-2-keto-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methylcarbamoylamino]-3-hydroxy-butyric acid Formula: C22H21FN6O5 MolecularWeight: 468.437743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C3NC4=C(N3)C=C(C=C4)CNC(=O)NCC(CC(=O)O)O)C(=C2C(=C1)F)N

Isomeric SMILES

C1=CC2=NC(=O)/C(=C\3/NC4=C(N3)C=C(C=C4)CNC(=O)NCC(CC(=O)O)O)/C(=C2C(=C1)F)N

InChI

InChI=1S/C22H21FN6O5/c23-12-2-1-3-14-17(12)19(24)18(21(33)29-14)20-27-13-5-4-10(6-15(13)28-20)8-25-22(34)26-9-11(30)7-16(31)32/h1-6,11,27-28,30H,7-9,24H2,(H,31,32)(H2,25,26,34)/b20-18-