3-[[1-[(4-nitrophenyl)methoxycarbonyl]-3-[(4-nitrophenyl)methoxycarbonyloxy]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]-7-oxidanylidene-6-pyrrolidin-1-ylcarbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[[1-[(4-nitrophenyl)methoxycarbonyl]-3-[(4-nitrophenyl)methoxycarbonyloxy]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]-7-oxidanylidene-6-pyrrolidin-1-ylcarbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[[3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]-3-[(4-nitrophenyl)methoxycarbonyloxy]pyrrolidine-2-carbonyl]amino]-7-oxo-6-(pyrrolidine-1-carbonyl)-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[[3-hydroxy-3-[(4-nitrophenyl)methoxy-oxomethoxy]-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-7-oxo-6-[oxo(1-pyrrolidinyl)methyl]-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[[3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]-3-[(4-nitrophenyl)methoxycarbonyloxy]pyrrolidine-2-carbonyl]amino]-7-oxo-6-(pyrrolidine-1-carbonyl)-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[3-hydroxy-1-(4-nitrobenzyl)oxycarbonyl-3-(4-nitrobenzyl)oxycarbonyloxy-prolyl]amino]-7-keto-6-(pyrrolidine-1-carbonyl)-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C37H39N7O15S MolecularWeight: 853.80846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2(C3CC(=C(N3C2=O)C(=O)O)NC(=O)C4C(CCN4C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])(O)OC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])SC7CCNC7

Isomeric SMILES

C1CCN(C1)C(=O)C2(C3CC(=C(N3C2=O)C(=O)O)NC(=O)C4C(CCN4C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])(O)OC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])SC7CCNC7

InChI

InChI=1S/C37H39N7O15S/c45-30(39-26-17-27-37(60-25-11-13-38-18-25,32(48)40-14-1-2-15-40)33(49)42(27)28(26)31(46)47)29-36(52,59-35(51)58-20-22-5-9-24(10-6-22)44(55)56)12-16-41(29)34(50)57-19-21-3-7-23(8-4-21)43(53)54/h3-10,25,27,29,38,52H,1-2,11-20H2,(H,39,45)(H,46,47)