(2S,5R,6R)-6-[[(2R)-2-[(1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-[(1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[(2R)-2-[(1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[(2R)-2-[[(1-ethyl-6-fluoro-4-oxo-3-quinolinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[(2R)-2-[(1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl)amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C28H27FN4O6S MolecularWeight: 566.600583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)NC(C3=CC=CC=C3)C(=O)NC4C5N(C4=O)C(C(S5)(C)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)N[C@H](C3=CC=CC=C3)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O

InChI

InChI=1S/C28H27FN4O6S/c1-4-32-13-17(21(34)16-12-15(29)10-11-18(16)32)23(35)30-19(14-8-6-5-7-9-14)24(36)31-20-25(37)33-22(27(38)39)28(2,3)40-26(20)33/h5-13,19-20,22,26H,4H2,1-3H3,(H,30,35)(H,31,36)(H,38,39)/t19-,20-,22+,26-/m1/s1