[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5CC5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC(=O)NC5CC5

InChI

InChI=1S/C21H30N2O4/c24-18(22-16-3-4-16)12-27-19(25)17-2-1-5-23(17)20(26)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-17H,1-12H2,(H,22,24)/t13?,14?,15?,17-,21?/m0/s1