[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4/c1-14(24-22(29)25-19-6-4-3-5-7-19)21(28)30-15(2)20(27)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h3-7,14-18H,8-13H2,1-2H3,(H,26,27)(H2,24,25,29)/t14-,15+,16?,17?,18?,23?/m0/s1