[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C23H32N2O4 MolecularWeight: 400.51118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O4/c1-13-5-19(15(3)25(13)4)20(26)12-29-21(27)14(2)24-22(28)23-9-16-6-17(10-23)8-18(7-16)11-23/h5,14,16-18H,6-12H2,1-4H3,(H,24,28)/t14-,16?,17?,18?,23?/m0/s1