[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C23H36N2O4 MolecularWeight: 404.54294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H36N2O4/c1-16(21(27)29-15-20(26)25-7-5-3-2-4-6-8-25)24-22(28)23-12-17-9-18(13-23)11-19(10-17)14-23/h16-19H,2-15H2,1H3,(H,24,28)/t16-,17?,18?,19?,23?/m0/s1