2-(1-adamantyl)propan-2-yl (2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(1-adamantyl)propan-2-yl (2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: [1-(1-adamantyl)-1-methyl-ethyl] (2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid 2-(1-adamantyl)propan-2-yl ester IUPAC Name: 2-(1-adamantyl)propan-2-yl (2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid [1-(1-adamantyl)-1-methyl-ethyl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C12CC3CC(C1)CC(C3)C2)OC(=O)C4CCCN4C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

CC(C)(C12CC3CC(C1)CC(C3)C2)OC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C27H38N2O3/c1-26(2,27-15-19-11-20(16-27)13-21(12-19)17-27)32-25(31)23-9-6-10-29(23)24(30)22(28)14-18-7-4-3-5-8-18/h3-5,7-8,19-23H,6,9-17,28H2,1-2H3/t19?,20?,21?,22-,23-,27?/m0/s1