methyl 3-azanyl-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-azanyl-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]adamantane-1-carboxylate Openeye Name: methyl 3-amino-2-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate CAS Name: 3-amino-2-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]adamantane-1-carboxylate Traditional Name: 3-amino-2-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)N

InChI

InChI=1S/C29H34N2O5/c1-35-26(33)28-14-21-12-22(15-28)17-29(30,16-21)25(28)24(32)23(13-19-8-4-2-5-9-19)31-27(34)36-18-20-10-6-3-7-11-20/h2-11,21-23,25H,12-18,30H2,1H3,(H,31,34)