3-[2-[bis[(4-nitrophenyl)methoxycarbonyl]amino]propyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonyl]amino]propyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonyl]amino]propyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[2-[bis[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonyl]amino]propyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[2-[bis[(4-nitrobenzyl)oxycarbonyl]amino]propyl]-7-keto-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C30H31N5O11S MolecularWeight: 669.65904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N2C(C1)C(C2=O)SC3CCNC3)C(=O)O)N(C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=C(N2C(C1)C(C2=O)SC3CCNC3)C(=O)O)N(C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O11S/c1-17(12-20-13-24-26(47-23-10-11-31-14-23)27(36)33(24)25(20)28(37)38)32(29(39)45-15-18-2-6-21(7-3-18)34(41)42)30(40)46-16-19-4-8-22(9-5-19)35(43)44/h2-9,17,23-24,26,31H,10-16H2,1H3,(H,37,38)