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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c22-4-2-5-23-18(25)13-28-19(26)17-3-1-6-24(17)20(27)21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17H,1-3,5-13H2,(H,23,25)/t14?,15?,16?,17-,21?/m0/s1