7-[2-[[1,3-bis(azanyl)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-[[1,3-bis(azanyl)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-[(2-amino-1-carbamoyl-3-hydroxy-3-oxo-propyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2-[(1,3-diamino-4-hydroxy-1,4-dioxobutan-2-yl)amino]-1-pyrrolidinyl]-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[2-[(1,3-diamino-4-hydroxy-1,4-dioxobutan-2-yl)amino]pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-[(2-amino-1-carbamoyl-3-hydroxy-3-keto-propyl)amino]pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23F2N5O6 MolecularWeight: 479.434026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(C(C(=O)O)N)C(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)NC(C(C(=O)O)N)C(=O)N

InChI

InChI=1S/C21H23F2N5O6/c22-11-6-9-16(28(8-3-4-8)7-10(18(9)29)20(31)32)13(23)17(11)27-5-1-2-12(27)26-15(19(25)30)14(24)21(33)34/h6-8,12,14-15,26H,1-5,24H2,(H2,25,30)(H,31,32)(H,33,34)