1-[2,6-bis(azanyl)hexanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid; methanesulfonamide

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-1-phenylmethoxycarbonyl-pyrrolidin-1-ium-2-carboxylic acid; methanesulfonamide Openeye Name: 1-benzyloxycarbonyl-1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-2-carboxylic acid; methanesulfonamide CAS Name: 1-(2,6-diamino-1-oxohexyl)-1-phenylmethoxycarbonyl-2-pyrrolidin-1-iumcarboxylic acid; methanesulfonamide IUPAC Name: 1-(2,6-diaminohexanoyl)-1-phenylmethoxycarbonylpyrrolidin-1-ium-2-carboxylic acid; methanesulfonamide Traditional Name: 1-carbobenzoxy-1-(2,6-diaminohexanoyl)pyrrolidin-1-ium-2-carboxylic acid; methanesulfonamide Formula: C20H33N4O7S+ MolecularWeight: 473.56362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N.C1CC([N+](C1)(C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N.C1CC([N+](C1)(C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H27N3O5.CH5NO2S/c20-11-5-4-9-15(21)17(23)22(12-6-10-16(22)18(24)25)19(26)27-13-14-7-2-1-3-8-14;1-5(2,3)4/h1-3,7-8,15-16H,4-6,9-13,20-21H2;1H3,(H2,2,3,4)/p+1