5-[(2-azanylpropanoylamino)methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 5-[(2-azanylpropanoylamino)methyl]-1-cyclopropyl-6-fluoranyl-2-(3-methylpyrrolidin-1-yl)-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 5-[(2-aminopropanoylamino)methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 5-[[(2-amino-1-oxopropyl)amino]methyl]-1-cyclopropyl-6-fluoro-2-(3-methyl-1-pyrrolidinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 5-[(2-aminopropanoylamino)methyl]-1-cyclopropyl-6-fluoro-2-(3-methylpyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 5-[(alanylamino)methyl]-1-cyclopropyl-6-fluoro-4-keto-2-(3-methylpyrrolidino)-1,8-naphthyridine-3-carboxylic acid Formula: C21H26FN5O4 MolecularWeight: 431.460643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=O)C3=C(C(=CN=C3N2C4CC4)F)CNC(=O)C(C)N)C(=O)O

Isomeric SMILES

CC1CCN(C1)C2=C(C(=O)C3=C(C(=CN=C3N2C4CC4)F)CNC(=O)C(C)N)C(=O)O

InChI

InChI=1S/C21H26FN5O4/c1-10-5-6-26(9-10)20-16(21(30)31)17(28)15-13(7-25-19(29)11(2)23)14(22)8-24-18(15)27(20)12-3-4-12/h8,10-12H,3-7,9,23H2,1-2H3,(H,25,29)(H,30,31)