2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[2-[(2-amino-3-phenyl-propanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[2-[(2-amino-3-phenylpropanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-2-[2-(phenylalanylamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C26H26F2N4O4 MolecularWeight: 496.505846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)F)F)C(=O)O)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)F)F)C(=O)O)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C26H26F2N4O4/c27-15-12-17-22(18(28)13-15)32(16-8-9-16)25(21(23(17)33)26(35)36)31-10-4-7-20(31)30-24(34)19(29)11-14-5-2-1-3-6-14/h1-3,5-6,12-13,16,19-20H,4,7-11,29H2,(H,30,34)(H,35,36)