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

Systemtic Name: 2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[2-[(2-amino-3-phenyl-propanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[2-[(2-amino-3-phenylpropanoyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-2-[2-(phenylalanylamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C26H27FN4O4 MolecularWeight: 478.515383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3)F)C(=O)O)NC(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3)F)C(=O)O)NC(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C26H27FN4O4/c27-16-8-11-20-18(14-16)23(32)22(26(34)35)25(31(20)17-9-10-17)30-12-4-7-21(30)29-24(33)19(28)13-15-5-2-1-3-6-15/h1-3,5-6,8,11,14,17,19,21H,4,7,9-10,12-13,28H2,(H,29,33)(H,34,35)