3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxidanylidene-7-[[2-[(2-oxidanylideneimidazolidin-1-yl)carbamoylamino]-2-phenyl-ethanoyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[1-oxo-2-[[oxo-[(2-oxo-1-imidazolidinyl)amino]methyl]amino]-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-[(2-oxoimidazolidin-1-yl)carbamoylamino]-2-phenylacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[2-[(2-ketoimidazolidin-1-yl)carbamoylamino]-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H27N8O7S+ MolecularWeight: 595.60698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=C(C=C5)C(=O)N)C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)NC(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=C(C=C5)C(=O)N)C(=O)O

InChI

InChI=1S/C26H26N8O7S/c27-20(35)15-6-9-32(10-7-15)12-16-13-42-23-18(22(37)34(23)19(16)24(38)39)29-21(36)17(14-4-2-1-3-5-14)30-25(40)31-33-11-8-28-26(33)41/h1-7,9-10,17-18,23H,8,11-13H2,(H6-,27,28,29,30,31,35,36,38,39,40,41)/p+1