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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1R)-2-(1-adamantylamino)-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)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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