[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

C#CCNC(=O)COC(=O)[C@@H]1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H28N2O5/c1-2-3-22-18(25)12-28-19(26)17-7-16(24)11-23(17)20(27)21-8-13-4-14(9-21)6-15(5-13)10-21/h1,13-17,24H,3-12H2,(H,22,25)/t13?,14?,15?,16?,17-,21?/m0/s1