[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O5/c1-15(26)25-23-11-17-7-18(12-23)10-22(9-17,14-23)21(29)30-13-20(28)24-19(27)8-16-5-3-2-4-6-16/h2-6,17-18H,7-14H2,1H3,(H,25,26)(H,24,27,28)/t17-,18+,22?,23?