[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H35N3O5 MolecularWeight: 433.5411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N(CCC#N)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C23H35N3O5/c1-22(2,3)31-21(29)25-7-5-20(28)30-15-19(27)26(8-4-6-24)23-12-16-9-17(13-23)11-18(10-16)14-23/h16-18H,4-5,7-15H2,1-3H3,(H,25,29)