7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[2-[3,4-bis(oxidanyl)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[2-[3,4-bis(oxidanyl)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[2-(3,4-dihydroxybenzoyl)hydrazino]-2-oxo-ethoxy]imino-acetyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[2-[[(3,4-dihydroxyphenyl)-oxomethyl]hydrazo]-2-oxoethoxy]imino-1-oxoethyl]amino]-3-[[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-oxoethoxy]iminoacetyl]amino]-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-keto-2-(N'-protocatechuoylhydrazino)ethyl]oximino-acetyl]amino]-8-keto-3-[[(5-methyl-2-methylol-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H27N11O10S3 MolecularWeight: 785.78738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOCC(=O)NNC(=O)C5=CC(=C(C=C5)O)O)C6=CSC(=N6)N)SC3)C(=O)O)CO

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OCC(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)O)CO

InChI

InChI=1S/C29H27N11O10S3/c1-11-4-19(40-29(31-11)33-17(6-41)37-40)51-8-13-9-52-26-21(25(47)39(26)22(13)27(48)49)34-24(46)20(14-10-53-28(30)32-14)38-50-7-18(44)35-36-23(45)12-2-3-15(42)16(43)5-12/h2-5,10,21,26,41-43H,6-9H2,1H3,(H2,30,32)(H,34,46)(H,35,44)(H,36,45)(H,48,49)/b38-20+