O3-methyl O2-[1,1,2,2-tetrakis(chloranyl)-2-[[(5R,6R)-7-oxidanylidene-3-phenyl-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyloxy]ethyl] (5R,6S)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate

Systemtic Name: O3-methyl O2-[1,1,2,2-tetrakis(chloranyl)-2-[[(5R,6R)-7-oxidanylidene-3-phenyl-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyloxy]ethyl] (5R,6S)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate Openeye Name: O3-methyl O2-[1,1,2,2-tetrachloro-2-[(5R,6R)-7-oxo-3-phenyl-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl]oxy-ethyl] (5R,6S)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate CAS Name: (5R,6S)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylic acid O3-methyl ester O2-[1,1,2,2-tetrachloro-2-[oxo-[(5R,6R)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-3-phenyl-1-azabicyclo[3.2.0]hept-2-en-2-yl]methoxy]ethyl] ester IUPAC Name: 3-O-methyl 2-O-[1,1,2,2-tetrachloro-2-[(5R,6R)-7-oxo-3-phenyl-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl]oxyethyl] (5R,6S)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylate Traditional Name: (5R,6S)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2,3-dicarboxylic acid O3-methyl ester O2-[1,1,2,2-tetrachloro-2-[(5R,6R)-7-keto-3-phenyl-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl]oxy-ethyl] ester Formula: C40H32Cl4N4O10 MolecularWeight: 870.51488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C(OC(=O)C4=C(CC5N4C(=O)C5NC(=O)CC6=CC=CC=C6)C7=CC=CC=C7)(Cl)Cl)(Cl)Cl

Isomeric SMILES

COC(=O)C1=C(N2[C@H](C1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C(OC(=O)C4=C(C[C@H]5N4C(=O)[C@@H]5NC(=O)CC6=CC=CC=C6)C7=CC=CC=C7)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/C40H32Cl4N4O10/c1-56-36(53)25-20-27-31(46-29(50)18-22-13-7-3-8-14-22)35(52)48(27)33(25)38(55)58-40(43,44)39(41,42)57-37(54)32-24(23-15-9-4-10-16-23)19-26-30(34(51)47(26)32)45-28(49)17-21-11-5-2-6-12-21/h2-16,26-27,30-31H,17-20H2,1H3,(H,45,49)(H,46,50)/t26-,27-,30-,31+/m1/s1