5-[(2-azanylethanoylamino)methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-[(2-azanylethanoylamino)methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-[[(2-aminoacetyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-[[(2-amino-1-oxoethyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methyl-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-[[(2-aminoacetyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-5-[(glycylamino)methyl]-4-keto-2-(3-methylpyrrolidino)quinoline-3-carboxylic acid Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3CNC(=O)CN)F)C(=O)O

Isomeric SMILES

CC1CCN(C1)C2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3CNC(=O)CN)F)C(=O)O

InChI

InChI=1S/C21H25FN4O4/c1-11-6-7-25(10-11)20-18(21(29)30)19(28)17-13(9-24-16(27)8-23)14(22)4-5-15(17)26(20)12-2-3-12/h4-5,11-12H,2-3,6-10,23H2,1H3,(H,24,27)(H,29,30)