disodium 7-[[2-(4-hydroxyphenyl)-2-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoyl]amino]-3-[[1-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: disodium 7-[[2-(4-hydroxyphenyl)-2-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoyl]amino]-3-[[1-(2-oxidanidyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: disodium 7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[1-(2-oxido-2-oxo-ethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: disodium 7-[[2-[[[2-(4-formyl-1-piperazinyl)-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-[[[1-(2-oxido-2-oxoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: disodium 7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[1-(2-oxido-2-oxoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: disodium 7-[[2-[[2-(4-formylpiperazino)-5-keto-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-3-[[[1-(2-keto-2-oxido-ethyl)tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C32H28N12Na2O10S2 MolecularWeight: 850.74866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NN=NN7CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CN(CCN1C=O)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC5C6N(C5=O)C(=C(CS6)CSC7=NN=NN7CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H30N12O10S2.2Na/c45-14-41-5-7-42(8-6-41)31-34-9-18-24(49)19(10-33-25(18)37-31)26(50)35-21(15-1-3-17(46)4-2-15)27(51)36-22-28(52)44-23(30(53)54)16(12-55-29(22)44)13-56-32-38-39-40-43(32)11-20(47)48;;/h1-4,9-10,14,21-22,29,46H,5-8,11-13H2,(H,35,50)(H,36,51)(H,47,48)(H,53,54)(H,33,34,37,49);;/q;2*+1/p-2