[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-(2-carboxyethyl)-(3-ethanoylsulfanyl-3-methyl-butanoyl)-sulfo-azanium

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl]-(2-carboxyethyl)-(3-ethanoylsulfanyl-3-methyl-butanoyl)-sulfo-azanium Openeye Name: (3-acetylsulfanyl-3-methyl-butanoyl)-(2-carboxyethyl)-(2,5-dioxopyrrolidin-1-yl)-sulfo-ammonium CAS Name: [3-(acetylthio)-3-methyl-1-oxobutyl]-(2-carboxyethyl)-(2,5-dioxo-1-pyrrolidinyl)-sulfoammonium IUPAC Name: (3-acetylsulfanyl-3-methylbutanoyl)-(2-carboxyethyl)-(2,5-dioxopyrrolidin-1-yl)-sulfoazanium Traditional Name: [3-(acetylthio)-3-methyl-butanoyl]-(2-carboxyethyl)-succinimido-sulfo-ammonium Formula: C14H21N2O9S2+ MolecularWeight: 425.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(C)CC(=O)[N+](CCC(=O)O)(N1C(=O)CCC1=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)SC(C)(C)CC(=O)[N+](CCC(=O)O)(N1C(=O)CCC1=O)S(=O)(=O)O

InChI

InChI=1S/C14H20N2O9S2/c1-9(17)26-14(2,3)8-12(20)16(27(23,24)25,7-6-13(21)22)15-10(18)4-5-11(15)19/h4-8H2,1-3H3,(H-,21,22,23,24,25)/p+1