(4R,5S,6S)-4-methyl-3-[(3S,5S)-1-[(4-nitrophenyl)methoxycarbonyl]-5-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-4-methyl-3-[(3S,5S)-1-[(4-nitrophenyl)methoxycarbonyl]-5-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-1-[(4-nitrophenyl)methoxycarbonyl]-5-[[(4-nitrophenyl)methoxycarbonyl-sulfamoyl-amino]methyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[[[(4-nitrophenyl)methoxy-oxomethyl]-sulfamoylamino]methyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(3S,5S)-1-[(4-nitrophenyl)methoxycarbonyl]-5-[[(4-nitrophenyl)methoxycarbonyl-sulfamoylamino]methyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[(3S,5S)-1-(4-nitrobenzyl)oxycarbonyl-5-[[(4-nitrobenzyl)oxycarbonyl-sulfamoyl-amino]methyl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C31H34N6O14S2 MolecularWeight: 778.76346

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CN(C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)N)C(=O)O)C(C)O

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-])CN(C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)N)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C31H34N6O14S2/c1-16-25-24(17(2)38)28(39)35(25)26(29(40)41)27(16)52-23-11-22(33(13-23)30(42)50-14-18-3-7-20(8-4-18)36(44)45)12-34(53(32,48)49)31(43)51-15-19-5-9-21(10-6-19)37(46)47/h3-10,16-17,22-25,38H,11-15H2,1-2H3,(H,40,41)(H2,32,48,49)/t16-,17-,22+,23+,24-,25-/m1/s1