4-[(4-methoxyphenyl)methoxycarbonyl]-1-[[(4-methoxyphenyl)methoxycarbonyl-(methylsulfamoyl)amino]methyl]-4-methyl-7-oxidanylidene-5-pyrrolidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methoxycarbonyl]-1-[[(4-methoxyphenyl)methoxycarbonyl-(methylsulfamoyl)amino]methyl]-4-methyl-7-oxidanylidene-5-pyrrolidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methoxycarbonyl]-1-[[(4-methoxyphenyl)methoxycarbonyl-(methylsulfamoyl)amino]methyl]-4-methyl-7-oxo-5-pyrrolidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methoxy-oxomethyl]-1-[[[(4-methoxyphenyl)methoxy-oxomethyl]-(methylsulfamoyl)amino]methyl]-4-methyl-7-oxo-5-(3-pyrrolidinylthio)-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methoxycarbonyl]-1-[[(4-methoxyphenyl)methoxycarbonyl-(methylsulfamoyl)amino]methyl]-4-methyl-7-oxo-5-pyrrolidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-4-methyl-1-[[methylsulfamoyl(p-anisyloxycarbonyl)amino]methyl]-4-p-anisyloxycarbonyl-5-(pyrrolidin-3-ylthio)-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C32H39N4O11S2+ MolecularWeight: 719.80226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C([N+]2(C1(CC2=O)SC3CCNC3)CN(C(=O)OCC4=CC=C(C=C4)OC)S(=O)(=O)NC)C(=O)O)C(=O)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1(C=C([N+]2(C1(CC2=O)SC3CCNC3)CN(C(=O)OCC4=CC=C(C=C4)OC)S(=O)(=O)NC)C(=O)O)C(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H38N4O11S2/c1-31(29(40)46-18-21-5-9-23(44-3)10-6-21)15-26(28(38)39)36(27(37)16-32(31,36)48-25-13-14-34-17-25)20-35(49(42,43)33-2)30(41)47-19-22-7-11-24(45-4)12-8-22/h5-12,15,25,33-34H,13-14,16-20H2,1-4H3/p+1