[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C28H32N2O4/c1-18(25(32)29-24-11-7-6-10-23(24)22-8-4-3-5-9-22)34-26(33)27-13-20-12-21(14-27)16-28(15-20,17-27)30-19(2)31/h3-11,18,20-21H,12-17H2,1-2H3,(H,29,32)(H,30,31)/t18-,20-,21+,27?,28?/m1/s1