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

Systemtic Name: 5-azanyl-7-[3-(2-azanylethanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[(2-aminoacetyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[(2-amino-1-oxoethyl)amino]-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[(2-aminoacetyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-[3-(glycylamino)pyrrolidino]-4-keto-quinoline-3-carboxylic acid Formula: C19H21F2N5O4 MolecularWeight: 421.397946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)NC(=O)CN)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)NC(=O)CN)F)C(=O)O

InChI

InChI=1S/C19H21F2N5O4/c20-13-15(23)12-16(26(9-1-2-9)7-10(18(12)28)19(29)30)14(21)17(13)25-4-3-8(6-25)24-11(27)5-22/h7-9H,1-6,22-23H2,(H,24,27)(H,29,30)