[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C1=CC=CC=C1)C(=O)NC2CC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-15(26-24(30)25-12-16-9-17(13-25)11-18(10-16)14-25)23(29)31-21(19-5-3-2-4-6-19)22(28)27-20-7-8-20/h2-6,15-18,20-21H,7-14H2,1H3,(H,26,30)(H,27,28)/t15-,16?,17?,18?,21+,25?/m0/s1