8-[(3R)-3-[(1S)-1-azanyl-3-methylsulfanyl-propyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[(3R)-3-[(1S)-1-azanyl-3-methylsulfanyl-propyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3R)-3-[(1S)-1-amino-3-methylsulfanyl-propyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[(3R)-3-[(1S)-1-amino-3-(methylthio)propyl]-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[(3R)-3-[(1S)-1-amino-3-methylsulfanylpropyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3R)-3-[(1S)-1-amino-3-(methylthio)propyl]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)C(CCSC)N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC[C@H](C4)[C@H](CCSC)N

InChI

InChI=1S/C22H28FN3O3S/c1-12-19-15(13-3-4-13)9-16(22(28)29)21(27)26(19)11-17(23)20(12)25-7-5-14(10-25)18(24)6-8-30-2/h9,11,13-14,18H,3-8,10,24H2,1-2H3,(H,28,29)/t14-,18+/m1/s1