(3R)-3-[(3-Acetylsulfanyl-3-Methylbutanoyl)-(2,5-Dioxopyrrolidin-1-Yl)Amino]-3-Sulfopropanoic Acid
[CAS# 131068-49-0]

Identification

• Name: (3R)-3-[(3-Acetylsulfanyl-3-Methylbutanoyl)-(2,5-Dioxopyrrolidin-1-Yl)Amino]-3-Sulfopropanoic Acid
• Synonyms: (3R)-3-[(3-Acetylsulfanyl-3-Methyl-Butanoyl)-(2,5-Dioxopyrrolidin-1-Yl)Amino]-3-Sulfo-Propanoic Acid; (3R)-3-[[3-(Acetylthio)-3-Methyl-1-Oxobutyl]-(2,5-Dioxo-1-Pyrrolidinyl)Amino]-3-Sulfopropanoic Acid; (3R)-3-[[3-(Acetylthio)-3-Methyl-Butanoyl]-Succinimido-Amino]-3-Sulfo-Propionic Acid
• Molecular Formula: C₁₄H₂₀N₂O₉S₂
• Molecular Weight: 424.44
• CAS Registry Number: 131068-49-0
• SMILES: [C@H](N(C(=O)CC(C)(C)SC(=O)C)N1C(=O)CCC1=O)(CC(=O)O)[S](=O)(=O)O
• InChI: 1S/C14H20N2O9S2/c1-8(17)26-14(2,3)7-11(20)16(15-9(18)4-5-10(15)19)12(6-13(21)22)27(23,24)25/h12H,4-7H2,1-3H3,(H,21,22)(H,23,24,25)/t12-/m1/s1
• InChIKey: SPIFUBACRDHOKS-GFCCVEGCSA-N

Properties

• Density: 1.586g/cm³ (Cal.)