(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[(3S)-1-[(E)-C-methyl-N-[C-[(4-nitrophenyl)methoxy]carbonimidoyl]carbonimidoyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[(3S)-1-[(E)-C-methyl-N-[C-[(4-nitrophenyl)methoxy]carbonimidoyl]carbonimidoyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[(3S)-1-[(E)-C-methyl-N-[(4-nitrophenyl)methoxycarbonimidoyl]carbonimidoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[(3S)-1-[(1E)-1-[imino-[(4-nitrophenyl)methoxy]methyl]iminoethyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[(3S)-1-[(E)-C-methyl-N-[C-[(4-nitrophenyl)methoxy]carbonimidoyl]carbonimidoyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-keto-4-methyl-3-[[(3S)-1-[(E)-C-methyl-N-[(4-nitrobenzyl)oxycarbonimidoyl]carbonimidoyl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C37H48N6O9SSi MolecularWeight: 780.96232

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CCN(C3)C(=NC(=N)OCC4=CC=C(C=C4)[N+](=O)[O-])C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(C)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3CCN(C3)/C(=N/C(=N)OCC4=CC=C(C=C4)[N+](=O)[O-])/C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C37H48N6O9SSi/c1-22-31-30(23(2)52-54(7,8)37(4,5)6)34(44)41(31)32(35(45)50-20-25-9-13-27(14-10-25)42(46)47)33(22)53-29-17-18-40(19-29)24(3)39-36(38)51-21-26-11-15-28(16-12-26)43(48)49/h9-16,22-23,29-31,38H,17-21H2,1-8H3/b38-36?,39-24+/t22-,23-,29+,30-,31-/m1/s1