7-[(2-azanyl-3-phenyl-propanoyl)amino]-1-cyclopropyl-6-fluoranyl-3,5-dimethyl-4-oxidanylidene-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2-azanyl-3-phenyl-propanoyl)amino]-1-cyclopropyl-6-fluoranyl-3,5-dimethyl-4-oxidanylidene-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Openeye Name: 7-[(2-amino-3-phenyl-propanoyl)amino]-1-cyclopropyl-6-fluoro-3,5-dimethyl-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-cyclopropyl-6-fluoro-3,5-dimethyl-4-oxo-2-(1-pyrrolidinyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 7-[(2-amino-3-phenylpropanoyl)amino]-1-cyclopropyl-6-fluoro-3,5-dimethyl-4-oxo-2-pyrrolidin-1-yl-2H-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-3,5-dimethyl-7-(phenylalanylamino)-2-pyrrolidino-2H-quinoline-3-carboxylic acid Formula: C28H33FN4O4 MolecularWeight: 508.584423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)NC(=O)C(CC3=CC=CC=C3)N)N(C(C(C2=O)(C)C(=O)O)N4CCCC4)C5CC5

Isomeric SMILES

CC1=C2C(=CC(=C1F)NC(=O)C(CC3=CC=CC=C3)N)N(C(C(C2=O)(C)C(=O)O)N4CCCC4)C5CC5

InChI

InChI=1S/C28H33FN4O4/c1-16-22-21(15-20(23(16)29)31-25(35)19(30)14-17-8-4-3-5-9-17)33(18-10-11-18)26(32-12-6-7-13-32)28(2,24(22)34)27(36)37/h3-5,8-9,15,18-19,26H,6-7,10-14,30H2,1-2H3,(H,31,35)(H,36,37)