(2S,5R,6R)-6-[[(2R)-2-[[6,7-bis(fluoranyl)-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]-2-(4-hydroxyphenyl)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)-4-oxidanylidene-1H-quinolin-3-yl]carbonylamino]-2-(4-hydroxyphenyl)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-4-oxo-1H-quinoline-3-carbonyl)amino]-2-(4-hydroxyphenyl)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-4-oxo-1H-quinolin-3-yl)-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]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-4-oxo-1H-quinoline-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]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-4-keto-1H-quinoline-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C26H22F2N4O7S MolecularWeight: 572.537286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CNC5=CC(=C(C=C5C4=O)F)F)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)C4=CNC5=CC(=C(C=C5C4=O)F)F)C(=O)O)C

InChI

InChI=1S/C26H22F2N4O7S/c1-26(2)20(25(38)39)32-23(37)18(24(32)40-26)31-22(36)17(10-3-5-11(33)6-4-10)30-21(35)13-9-29-16-8-15(28)14(27)7-12(16)19(13)34/h3-9,17-18,20,24,33H,1-2H3,(H,29,34)(H,30,35)(H,31,36)(H,38,39)/t17-,18-,20+,24-/m1/s1