(2S,5R,6R)-6-[[(2R)-2-[[6,7-bis(fluoranyl)-1-(2-hydroxyethyl)-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-[[6,7-bis(fluoranyl)-1-(2-hydroxyethyl)-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-[[6,7-difluoro-1-(2-hydroxyethyl)-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-[[[6,7-difluoro-1-(2-hydroxyethyl)-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-[[6,7-difluoro-1-(2-hydroxyethyl)-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-[[6,7-difluoro-1-(2-hydroxyethyl)-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: C28H26F2N4O7S MolecularWeight: 600.590446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CN(C5=CC(=C(C=C5C4=O)F)F)CCO)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CN(C5=CC(=C(C=C5C4=O)F)F)CCO)C(=O)O)C

InChI

InChI=1S/C28H26F2N4O7S/c1-28(2)22(27(40)41)34-25(39)20(26(34)42-28)32-24(38)19(13-6-4-3-5-7-13)31-23(37)15-12-33(8-9-35)18-11-17(30)16(29)10-14(18)21(15)36/h3-7,10-12,19-20,22,26,35H,8-9H2,1-2H3,(H,31,37)(H,32,38)(H,40,41)/t19-,20-,22+,26-/m1/s1