8-[(3S)-3-[[(2S)-2-azanyl-3-methyl-pentanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[(3S)-3-[[(2S)-2-azanyl-3-methyl-pentanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3S)-3-[[(2S)-2-amino-3-methyl-pentanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[(3S)-3-[[(2S)-2-amino-3-methyl-1-oxopentyl]amino]-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[(3S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3S)-3-[[(2S)-2-amino-3-methyl-pentanoyl]amino]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C24H31FN4O4 MolecularWeight: 458.525743

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H]1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)N

InChI

InChI=1S/C24H31FN4O4/c1-4-12(2)19(26)22(30)27-15-7-8-28(10-15)21-13(3)20-16(14-5-6-14)9-17(24(32)33)23(31)29(20)11-18(21)25/h9,11-12,14-15,19H,4-8,10,26H2,1-3H3,(H,27,30)(H,32,33)/t12?,15-,19-/m0/s1