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

Systemtic Name: methyl 2-azanyl-2-(2-azanyl-3-phenyl-propanoyl)adamantane-1-carboxylate Openeye Name: methyl 2-amino-2-(2-amino-3-phenyl-propanoyl)adamantane-1-carboxylate CAS Name: 2-amino-2-(2-amino-1-oxo-3-phenylpropyl)-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-2-(2-amino-3-phenylpropanoyl)adamantane-1-carboxylate Traditional Name: 2-amino-2-phenylalanyl-adamantane-1-carboxylic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)C2(C(=O)C(CC4=CC=CC=C4)N)N

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)C2(C(=O)C(CC4=CC=CC=C4)N)N

InChI

InChI=1S/C21H28N2O3/c1-26-19(25)20-11-14-7-15(12-20)9-16(8-14)21(20,23)18(24)17(22)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12,22-23H2,1H3