[(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1S)-2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1S)-2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C29H34N2O5/c1-19(26(33)30-24-8-10-25(11-9-24)35-17-21-6-4-3-5-7-21)36-27(34)28-13-22-12-23(14-28)16-29(15-22,18-28)31-20(2)32/h3-11,19,22-23H,12-18H2,1-2H3,(H,30,33)(H,31,32)/t19-,22-,23+,28?,29?/m0/s1