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

Systemtic Name: 5-azanyl-7-[2-(3-azanylpropanoylamino)-4-methyl-pyrrolidin-1-yl]-6-fluoranyl-1-(1,2-oxazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[2-(3-aminopropanoylamino)-4-methyl-pyrrolidin-1-yl]-6-fluoro-1-isoxazol-3-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[2-[(3-amino-1-oxopropyl)amino]-4-methyl-1-pyrrolidinyl]-6-fluoro-1-(3-isoxazolyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[2-(3-aminopropanoylamino)-4-methylpyrrolidin-1-yl]-6-fluoro-1-(1,2-oxazol-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[2-(3-aminopropanoylamino)-4-methyl-pyrrolidino]-6-fluoro-1-isoxazol-3-yl-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN6O5 MolecularWeight: 458.442923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NOC=C4)N)F)NC(=O)CCN

Isomeric SMILES

CC1CC(N(C1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NOC=C4)N)F)NC(=O)CCN

InChI

InChI=1S/C21H23FN6O5/c1-10-6-15(25-16(29)2-4-23)27(8-10)13-7-12-17(19(24)18(13)22)20(30)11(21(31)32)9-28(12)14-3-5-33-26-14/h3,5,7,9-10,15H,2,4,6,8,23-24H2,1H3,(H,25,29)(H,31,32)