7-[3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H27FN4O4 MolecularWeight: 478.515383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)NC(=O)C(CC5=CC=CC=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(C4)NC(=O)[C@H](CC5=CC=CC=C5)N)F)C(=O)O

InChI

InChI=1S/C26H27FN4O4/c27-20-11-18-22(31(17-6-7-17)14-19(24(18)32)26(34)35)12-23(20)30-9-8-16(13-30)29-25(33)21(28)10-15-4-2-1-3-5-15/h1-5,11-12,14,16-17,21H,6-10,13,28H2,(H,29,33)(H,34,35)/t16?,21-/m0/s1