2-(aminocarbonylamino)-3-methyl-pentanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-(aminocarbonylamino)-3-methyl-pentanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; 3-methyl-2-ureido-pentanoic acid CAS Name: 2-(carbamoylamino)-3-methylpentanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(carbamoylamino)-3-methylpentanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid; 3-methyl-2-ureido-valeric acid Formula: C24H32FN5O6 MolecularWeight: 505.539183

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)N.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)N.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3.C7H14N2O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-3-4(2)5(6(10)11)9-7(8)12/h7-10,19H,1-6H2,(H,23,24);4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)