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

Systemtic Name: tripotassium 7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidanidyl-pyridin-3-yl]carbonylamino]ethanoyl]amino]-3-[[5-(oxidanidylcarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tripotassium 7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)pyridine-3-carbonyl]amino]acetyl]amino]-3-[[5-(oxidocarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: tripotassium 7-[[2-(4-hydroxyphenyl)-2-[[[6-(4-methylphenyl)-2-oxido-3-pyridinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-[[[5-[(oxidoamino)-oxomethyl]-1,3,4-thiadiazol-2-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: tripotassium 7-[[2-(4-hydroxyphenyl)-2-[[6-(4-methylphenyl)-2-oxidopyridine-3-carbonyl]amino]acetyl]amino]-3-[[5-(oxidocarbamoyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: tripotassium 7-[[2-(4-hydroxyphenyl)-2-[[2-oxido-6-(p-tolyl)nicotinoyl]amino]acetyl]amino]-8-keto-3-[[[5-(oxidocarbamoyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C32H24K3N7O9S3 MolecularWeight: 864.06436

Click to see the large picture

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)N[O-])C(=O)[O-])[O-].[K+].[K+].[K+]

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)N[O-])C(=O)[O-])[O-].[K+].[K+].[K+]

InChI

InChI=1S/C32H26N7O9S3.3K/c1-14-2-4-15(5-3-14)20-11-10-19(24(41)33-20)25(42)34-21(16-6-8-18(40)9-7-16)26(43)35-22-29(45)39-23(31(46)47)17(12-49-30(22)39)13-50-32-37-36-28(51-32)27(44)38-48;;;/h2-11,21-22,30H,12-13H2,1H3,(H6-,33,34,35,36,38,40,41,42,43,44,46,47,48);;;/q-1;3*+1/p-2