sodium 3-(acetyloxymethyl)-7-[[2-[[4-(methylideneamino)-2-oxidanylidene-3-pyridin-3-yl-imidazolidin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium 3-(acetyloxymethyl)-7-[[2-[[4-(methylideneamino)-2-oxidanylidene-3-pyridin-3-yl-imidazolidin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium 3-(acetoxymethyl)-7-[[2-[[4-(methyleneamino)-2-oxo-3-(3-pyridyl)imidazolidine-1-carbonyl]amino]-2-phenyl-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium 3-(acetyloxymethyl)-7-[[2-[[[4-(methyleneamino)-2-oxo-3-(3-pyridinyl)-1-imidazolidinyl]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium 3-(acetyloxymethyl)-7-[[2-[[4-(methylideneamino)-2-oxo-3-pyridin-3-ylimidazolidine-1-carbonyl]amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium 3-(acetoxymethyl)-8-keto-7-[[2-[[2-keto-4-(methyleneamino)-3-(3-pyridyl)imidazolidine-1-carbonyl]amino]-2-phenyl-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C28H26N7NaO8S MolecularWeight: 643.60291

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CC(N(C4=O)C5=CN=CC=C5)N=C)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CC(N(C4=O)C5=CN=CC=C5)N=C)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H27N7O8S.Na/c1-15(36)43-13-17-14-44-25-21(24(38)35(25)22(17)26(39)40)31-23(37)20(16-7-4-3-5-8-16)32-27(41)33-12-19(29-2)34(28(33)42)18-9-6-10-30-11-18;/h3-11,19-21,25H,2,12-14H2,1H3,(H,31,37)(H,32,41)(H,39,40);/q;+1/p-1