disodium 3-[[5-(2-azanylethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidanidyl-pyridin-3-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium 3-[[5-(2-azanylethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidanidyl-pyridin-3-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 3-[[5-(2-aminoethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)pyridine-3-carbonyl]amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 3-[[[5-[(2-aminoethylamino)-oxomethyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(4-hydroxyphenyl)-2-[[[6-(4-methylphenyl)-2-oxido-3-pyridinyl]-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium 3-[[5-(2-aminoethylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidopyridine-3-carbonyl]amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 3-[[[5-(2-aminoethylcarbamoyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)nicotinoyl]amino]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C34H30N8Na2O8S3 MolecularWeight: 820.82534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC4C5N(C4=O)C(=C(CS5)CSC6=NN=C(S6)C(=O)NCCN)C(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC4C5N(C4=O)C(=C(CS5)CSC6=NN=C(S6)C(=O)NCCN)C(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C34H32N8O8S3.2Na/c1-16-2-4-17(5-3-16)22-11-10-21(26(44)37-22)27(45)38-23(18-6-8-20(43)9-7-18)28(46)39-24-31(48)42-25(33(49)50)19(14-51-32(24)42)15-52-34-41-40-30(53-34)29(47)36-13-12-35;;/h2-11,23-24,32,43H,12-15,35H2,1H3,(H,36,47)(H,37,44)(H,38,45)(H,39,46)(H,49,50);;/q;2*+1/p-2