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

Systemtic Name: methyl 1-(2-azanylpropanoyl)-1-(phenylmethyl)sulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl 1-(2-aminopropanoyl)-1-benzylsulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-amino-1-oxopropyl)-1-[oxo-(phenylmethyl)sulfonylmethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-aminopropanoyl)-1-benzylsulfonylcarbonylpyrrolidin-1-ium-2-carboxylate Traditional Name: 1-alanyl-1-benzylsulfonylcarbonyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H23N2O6S+ MolecularWeight: 383.43932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(CCCC1C(=O)OC)C(=O)S(=O)(=O)CC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)[N+]1(CCCC1C(=O)OC)C(=O)S(=O)(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H23N2O6S/c1-12(18)15(20)19(10-6-9-14(19)16(21)25-2)17(22)26(23,24)11-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11,18H2,1-2H3/q+1