(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-3-[(3S,5S)-5-(methylsulfonyloxymethyl)-1-[(4-nitrophenyl)methoxycarbonyl]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,5S)-5-(methylsulfonyloxymethyl)-1-[(4-nitrophenyl)methoxycarbonyl]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,5S)-5-(methylsulfonyloxymethyl)-1-[(4-nitrophenyl)methoxycarbonyl]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]-4-methyl-3-[[(3S,5S)-5-(methylsulfonyloxymethyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-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,5S)-5-(methylsulfonyloxymethyl)-1-[(4-nitrophenyl)methoxycarbonyl]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,5S)-5-(methylsulfonyloxymethyl)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C37H48N4O13S2Si MolecularWeight: 849.01152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])COS(=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]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])COS(=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/C37H48N4O13S2Si/c1-22-31-30(23(2)54-57(7,8)37(3,4)5)34(42)39(31)32(35(43)51-19-24-9-13-26(14-10-24)40(45)46)33(22)55-29-17-28(21-53-56(6,49)50)38(18-29)36(44)52-20-25-11-15-27(16-12-25)41(47)48/h9-16,22-23,28-31H,17-21H2,1-8H3/t22-,23-,28+,29+,30-,31-/m1/s1