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

Systemtic Name: methyl 3-azanyl-2-(2-azanyl-3-phenyl-propanoyl)adamantane-1-carboxylate hydrobromide Openeye Name: methyl 3-amino-2-(2-amino-3-phenyl-propanoyl)adamantane-1-carboxylate hydrobromide CAS Name: 3-amino-2-(2-amino-1-oxo-3-phenylpropyl)-1-adamantanecarboxylic acid methyl ester hydrobromide IUPAC Name: methyl 3-amino-2-(2-amino-3-phenylpropanoyl)adamantane-1-carboxylate hydrobromide Traditional Name: 3-amino-2-phenylalanyl-adamantane-1-carboxylic acid methyl ester hydrobromide Formula: C21H29BrN2O3 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)N)N.Br

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2C(=O)C(CC4=CC=CC=C4)N)N.Br

InChI

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