[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H30N2O5 MolecularWeight: 414.4947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O5/c1-15(24-20(26)13-29-19-5-3-2-4-6-19)22(28)30-14-21(27)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,15-18H,7-14H2,1H3,(H,24,26)(H,25,27)/t15-,16?,17?,18?,23?/m0/s1