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

Systemtic Name: 7-[3-[(2-azanylpropanoylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(2-aminopropanoylamino)methyl]-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[[(2-amino-1-oxopropyl)amino]methyl]-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(2-aminopropanoylamino)methyl]-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(alanylamino)methyl]-3-methyl-pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4/c1-12(24)20(29)25-10-22(2)5-6-26(11-22)18-8-17-14(7-16(18)23)19(28)15(21(30)31)9-27(17)13-3-4-13/h7-9,12-13H,3-6,10-11,24H2,1-2H3,(H,25,29)(H,30,31)