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

Systemtic Name: 5-[(2-azanylpropanoylamino)methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-[(2-aminopropanoylamino)methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-[[(2-amino-1-oxopropyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methyl-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-[(2-aminopropanoylamino)methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-[(alanylamino)methyl]-1-cyclopropyl-6-fluoro-4-keto-2-(3-methylpyrrolidino)quinoline-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4/c1-11-7-8-26(10-11)21-18(22(30)31)19(28)17-14(9-25-20(29)12(2)24)15(23)5-6-16(17)27(21)13-3-4-13/h5-6,11-13H,3-4,7-10,24H2,1-2H3,(H,25,29)(H,30,31)