(6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methyl]-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-yl]methyl]-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-yl]methyl]-7-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazinyl]methyl]-7-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]methyl]-7-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazino]methyl]-7-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C34H32FN5O9S MolecularWeight: 705.709383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=C(N6C(C(C6=O)NC(=O)C(C7=CC=CC=C7)C(=O)O)SC5)C(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=C(N6[C@@H]([C@@H](C6=O)NC(=O)C(C7=CC=CC=C7)C(=O)O)SC5)C(=O)O)F)C(=O)O

InChI

InChI=1S/C34H32FN5O9S/c35-22-12-20-23(39(19-6-7-19)15-21(28(20)41)32(44)45)13-24(22)38-10-8-37(9-11-38)14-18-16-50-31-26(30(43)40(31)27(18)34(48)49)36-29(42)25(33(46)47)17-4-2-1-3-5-17/h1-5,12-13,15,19,25-26,31H,6-11,14,16H2,(H,36,42)(H,44,45)(H,46,47)(H,48,49)/t25?,26-,31-/m1/s1