7-[3-[(2-azanylpropanoylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[3-[(2-azanylpropanoylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[3-[(2-aminopropanoylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[3-[[(2-amino-1-oxopropyl)amino]methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[3-[(2-aminopropanoylamino)methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[3-[(alanylamino)methyl]-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid Formula: C21H26FN5O4 MolecularWeight: 431.460643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)C)N

Isomeric SMILES

CC(C(=O)NCC1(CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F)C)N

InChI

InChI=1S/C21H26FN5O4/c1-11(23)19(29)24-9-21(2)5-6-26(10-21)18-15(22)7-13-16(28)14(20(30)31)8-27(12-3-4-12)17(13)25-18/h7-8,11-12H,3-6,9-10,23H2,1-2H3,(H,24,29)(H,30,31)