5-azanyl-7-[(3R)-3-[(S)-azanyl(cyclopropyl)methyl]pyrrolidin-1-yl]-6,8-bis(fluoranyl)-1-[(1R,2S)-2-fluoranylcyclopropyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[(3R)-3-[(S)-azanyl(cyclopropyl)methyl]pyrrolidin-1-yl]-6,8-bis(fluoranyl)-1-[(1R,2S)-2-fluoranylcyclopropyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(3R)-3-[(S)-amino(cyclopropyl)methyl]pyrrolidin-1-yl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(3R)-3-[(S)-amino(cyclopropyl)methyl]-1-pyrrolidinyl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(3R)-3-[(S)-amino(cyclopropyl)methyl]pyrrolidin-1-yl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(3R)-3-[(S)-amino(cyclopropyl)methyl]pyrrolidino]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-quinoline-3-carboxylic acid Formula: C21H23F3N4O3 MolecularWeight: 436.42753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2CCN(C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5F)C(=O)O)F)N

Isomeric SMILES

C1CN(C[C@@H]1[C@H](C2CC2)N)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4[C@@H]5C[C@@H]5F)C(=O)O)F

InChI

InChI=1S/C21H23F3N4O3/c22-11-5-12(11)28-7-10(21(30)31)20(29)13-17(26)14(23)19(15(24)18(13)28)27-4-3-9(6-27)16(25)8-1-2-8/h7-9,11-12,16H,1-6,25-26H2,(H,30,31)/t9-,11+,12-,16+/m1/s1