6-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-[3-amino-1-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-3-oxo-propyl]-6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[4-amino-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxobutan-2-yl]-6-[[1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[4-amino-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxobutan-2-yl]-6-[1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-[3-amino-3-keto-1-[[(4-nitrobenzyl)oxycarbonylamino]methyl]propyl]-7-keto-6-[[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C31H31N6O12S- MolecularWeight: 711.67584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC2(C3CC=C(N3C2=O)C(=O)[O-])C(CC(=O)N)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1SC2(C3CC=C(N3C2=O)C(=O)[O-])C(CC(=O)N)CNC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H32N6O12S/c32-26(38)13-20(14-33-29(42)48-16-18-1-5-21(6-2-18)36(44)45)31(25-10-9-24(27(39)40)35(25)28(31)41)50-23-11-12-34(15-23)30(43)49-17-19-3-7-22(8-4-19)37(46)47/h1-9,20,23,25H,10-17H2,(H2,32,38)(H,33,42)(H,39,40)/p-1