6-[4-azanyl-1-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butan-2-yl]-4-methyl-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]-4-methyl-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]-4-methyl-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]-4-methyl-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]-4-methyl-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-4-methyl-6-[[1-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C32H33N6O12S- MolecularWeight: 725.70242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C(CC(=O)N)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4CCN(C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C(CC(=O)N)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4CCN(C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C32H34N6O12S/c1-18-12-25(28(40)41)36-27(18)32(29(36)42,21(13-26(33)39)14-34-30(43)49-16-19-2-6-22(7-3-19)37(45)46)51-24-10-11-35(15-24)31(44)50-17-20-4-8-23(9-5-20)38(47)48/h2-9,12,18,21,24,27H,10-11,13-17H2,1H3,(H2,33,39)(H,34,43)(H,40,41)/p-1