(5R,6S)-3-[[4-[2-[4-(2-azanyloxy-2-oxidanylidene-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodanyl-phenoxy]methyl]-4-methyl-6-(1-oxidanidylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (5R,6S)-3-[[4-[2-[4-(2-azanyloxy-2-oxidanylidene-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodanyl-phenoxy]methyl]-4-methyl-6-(1-oxidanidylethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (5R,6S)-3-[[4-[2-[4-(2-aminooxy-2-oxo-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodo-phenoxy]methyl]-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-3-[[4-[2-[4-(2-aminooxy-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodophenoxy]methyl]-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (5R,6S)-3-[[4-[2-[4-(2-aminooxy-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodophenoxy]methyl]-4-methyl-6-(1-oxidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-3-[[4-[2-[4-(2-aminooxy-2-keto-ethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2-iodo-phenoxy]methyl]-7-keto-4-methyl-6-(1-oxidoethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C27H35IN4O7 MolecularWeight: 654.49387

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1COC3=C(C=C(C=C3)CC[N+]45CC[N+](CC4)(CC5)CC(=O)ON)I)C(=O)[O-])C(C)[O-]

Isomeric SMILES

CC1[C@@H]2[C@H](C(=O)N2C(=C1COC3=C(C=C(C=C3)CC[N+]45CC[N+](CC4)(CC5)CC(=O)ON)I)C(=O)[O-])C(C)[O-]

InChI

InChI=1S/C27H35IN4O7/c1-16-19(25(27(36)37)30-24(16)23(17(2)33)26(30)35)15-38-21-4-3-18(13-20(21)28)5-6-31-7-10-32(11-8-31,12-9-31)14-22(34)39-29/h3-4,13,16-17,23-24H,5-12,14-15,29H2,1-2H3/t16?,17?,23-,24-,31?,32?/m1/s1