methyl 1-(2-azanylethanoyl)-1-(phenylmethyl)sulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl 1-(2-azanylethanoyl)-1-(phenylmethyl)sulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl 1-(2-aminoacetyl)-1-benzylsulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxoethyl)-1-[oxo-(phenylmethyl)sulfonylmethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-aminoacetyl)-1-benzylsulfonylcarbonylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-benzylsulfonylcarbonyl-1-glycyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H21N2O6S+ MolecularWeight: 369.41274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[N+]1(C(=O)CN)C(=O)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCC[N+]1(C(=O)CN)C(=O)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N2O6S/c1-24-15(20)13-8-5-9-18(13,14(19)10-17)16(21)25(22,23)11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3/q+1