methyl 2-[2-(methylamino)-3-phenyl-propanoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl 2-[2-(methylamino)-3-phenyl-propanoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate CAS Name: 2-[2-(methylamino)-1-oxo-3-phenylpropyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(methylamino)-3-phenylpropanoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)NC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)NC)C(=O)OC

InChI

InChI=1S/C27H38N2O5/c1-25(2,3)34-24(32)29-27-15-18-11-19(16-27)14-26(13-18,23(31)33-5)22(27)21(30)20(28-4)12-17-9-7-6-8-10-17/h6-10,18-20,22,28H,11-16H2,1-5H3,(H,29,32)