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

Systemtic Name: 7-[2-[(3-azanyl-1-methylsulfanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-[[2-amino-3-hydroxy-1-(methylsulfanylmethyl)-3-oxo-propyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-[[3-amino-4-hydroxy-1-(methylthio)-4-oxobutan-2-yl]amino]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-[(3-amino-4-hydroxy-1-methylsulfanyl-4-oxobutan-2-yl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-[[2-amino-3-hydroxy-3-keto-1-[(methylthio)methyl]propyl]amino]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27FN4O5S MolecularWeight: 478.536983

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(C(=O)O)N)NC1CCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CSCC(C(C(=O)O)N)NC1CCCN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H27FN4O5S/c1-33-10-15(19(24)22(31)32)25-18-3-2-6-26(18)17-8-16-12(7-14(17)23)20(28)13(21(29)30)9-27(16)11-4-5-11/h7-9,11,15,18-19,25H,2-6,10,24H2,1H3,(H,29,30)(H,31,32)