3-[(6-tert-butyl-2-oxidanidyl-pyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(6-tert-butyl-2-oxidanidyl-pyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-yl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(6-tert-butyl-2-oxido-pyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(6-tert-butyl-2-oxido-3-pyridazin-2-iumyl)thio]methyl]-8-oxo-7-[[1-oxo-2-[[oxo-[(2-oxo-1-imidazolidinyl)amino]methyl]amino]-2-thiophen-2-ylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(6-tert-butyl-2-oxidopyridazin-2-ium-3-yl)sulfanylmethyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-thiophen-2-ylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(6-tert-butyl-2-oxido-pyridazin-2-ium-3-yl)thio]methyl]-8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H30N8O7S3 MolecularWeight: 662.7608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=N[N+](=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O)SC2)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)C1=N[N+](=C(C=C1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CS4)NC(=O)NN5CCNC5=O)SC2)C(=O)O)[O-]

InChI

InChI=1S/C26H30N8O7S3/c1-26(2,3)15-6-7-16(34(41)30-15)43-11-13-12-44-22-18(21(36)33(22)19(13)23(37)38)28-20(35)17(14-5-4-10-42-14)29-24(39)31-32-9-8-27-25(32)40/h4-7,10,17-18,22H,8-9,11-12H2,1-3H3,(H,27,40)(H,28,35)(H,37,38)(H2,29,31,39)