[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-14(21(27)29-15(2)20(26)25-19-6-4-3-5-7-19)24-22(28)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,14-18H,8-13H2,1-2H3,(H,24,28)(H,25,26)/t14-,15+,16?,17?,18?,23?/m0/s1