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

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5/c26-18(24-21(29)23-16-3-4-16)12-30-19(27)17-2-1-5-25(17)20(28)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-17H,1-12H2,(H2,23,24,26,29)/t13?,14?,15?,17-,22?/m0/s1