sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[2-[3,4-bis(oxidanyl)phenyl]carbonylhydrazinyl]-2-methyl-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-[[2-[[3,4-bis(oxidanyl)phenyl]sulfonylmethyl]-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-carboxylate

Systemtic Name: sodium (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[2-[3,4-bis(oxidanyl)phenyl]carbonylhydrazinyl]-2-methyl-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-[[2-[[3,4-bis(oxidanyl)phenyl]sulfonylmethyl]-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-carboxylate Openeye Name: sodium (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-[2-(3,4-dihydroxybenzoyl)hydrazino]-1,1-dimethyl-2-oxo-ethoxy]imino-acetyl]amino]-3-[[2-[(3,4-dihydroxyphenyl)sulfonylmethyl]-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-carboxylate CAS Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[1-[[(3,4-dihydroxyphenyl)-oxomethyl]hydrazo]-2-methyl-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-3-[[[2-[(3,4-dihydroxyphenyl)sulfonylmethyl]-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-carboxylate IUPAC Name: sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-(3,4-dihydroxybenzoyl)hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[[2-[(3,4-dihydroxyphenyl)sulfonylmethyl]-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-carboxylate Traditional Name: sodium (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-[2-keto-1,1-dimethyl-2-(N'-protocatechuoylhydrazino)ethyl]oximino-acetyl]amino]-3-[[[2-[(3,4-dihydroxyphenyl)sulfonylmethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C37H34N11NaO13S4 MolecularWeight: 991.98153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)C6=CSC(=N6)N)SC3)C(=O)[O-])CS(=O)(=O)C7=CC(=C(C=C7)O)O.[Na+]

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC(C)(C)C(=O)NNC(=O)C5=CC(=C(C=C5)O)O)/C6=CSC(=N6)N)SC3)C(=O)[O-])CS(=O)(=O)C7=CC(=C(C=C7)O)O.[Na+]

InChI

InChI=1S/C37H35N11O13S4.Na/c1-15-8-25(48-36(39-15)41-24(45-48)14-65(59,60)18-5-7-21(50)23(52)10-18)62-11-17-12-63-32-27(31(55)47(32)28(17)33(56)57)42-30(54)26(19-13-64-35(38)40-19)46-61-37(2,3)34(58)44-43-29(53)16-4-6-20(49)22(51)9-16;/h4-10,13,27,32,49-52H,11-12,14H2,1-3H3,(H2,38,40)(H,42,54)(H,43,53)(H,44,58)(H,56,57);/q;+1/p-1/b46-26-;/t27-,32-;/m1./s1