2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazol-4-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazol-4-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[[(5-carboxy-1H-imidazol-4-yl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenyl-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate Formula: C28H26N6O10S2 MolecularWeight: 670.67024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=C(NC=N4)C(=O)O)C(=O)O)C[N+]5=CC=C(C=C5)CCS(=O)(=O)[O-]

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=C(NC=N4)C(=O)O)C(=O)O)C[N+]5=CC=C(C=C5)CCS(=O)(=O)[O-]

InChI

InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1