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

Systemtic Name: 8-[3-azanyl-4-[(3S,4R)-3-azanyl-4-cyclopropyl-pyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-amino-4-[(3S,4R)-3-amino-4-cyclopropyl-pyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-amino-4-[(3S,4R)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-1-pyrrolidinyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-amino-4-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-amino-4-[(3S,4R)-3-amino-4-cyclopropyl-pyrrolidino]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C25H32FN5O3 MolecularWeight: 469.551683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)N5CC(C(C5)N)C6CC6)N

Isomeric SMILES

CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CC(C(C4)N5C[C@H]([C@@H](C5)N)C6CC6)N

InChI

InChI=1S/C25H32FN5O3/c1-12-22-15(13-2-3-13)6-16(25(33)34)24(32)31(22)8-18(26)23(12)30-10-20(28)21(11-30)29-7-17(14-4-5-14)19(27)9-29/h6,8,13-14,17,19-21H,2-5,7,9-11,27-28H2,1H3,(H,33,34)/t17-,19+,20?,21?/m0/s1