3-[[2-[[2-(7-Azido-4-Methyl-2-Oxo-2H-1-Benzopyran-3-Yl)Acetyl]Amino]Ethyl]Dithio]-Propanoic Acid 2,5-Dioxo-3-Sulfo-1-Pyrrolidinyl Ester Sodium Salt (1:1)
[CAS# 139609-20-4]

Identification

• Name: 3-[[2-[[2-(7-Azido-4-Methyl-2-Oxo-2H-1-Benzopyran-3-Yl)Acetyl]Amino]Ethyl]Dithio]-Propanoic Acid 2,5-Dioxo-3-Sulfo-1-Pyrrolidinyl Ester Sodium Salt (1:1)
• Synonyms: Sodium 1-[3-[2-[[2-(7-Azido-4-Methyl-2-Oxo-Chromen-3-Yl)Acetyl]Amino]Ethyldisulfanyl]Propanoyloxy]-2,5-Dioxo-Pyrrolidine-3-Sulfonate; Sodium 1-[3-[2-[[2-(7-Azido-4-Methyl-2-Oxo-3-Chromenyl)-1-Oxoethyl]Amino]Ethyldisulfanyl]-1-Oxopropoxy]-2,5-Dioxo-3-Pyrrolidinesulfonate; Sodium 1-[3-[2-[[2-(7-Azido-2-Keto-4-Methyl-Chromen-3-Yl)Acetyl]Amino]Ethyldisulfanyl]Propanoyloxy]-2,5-Diketo-Pyrrolidine-3-Sulfonate
• Molecular Formula: C₂₁H₂₀N₅NaO₁₀S₃
• Molecular Weight: 621.59
• CAS Registry Number: 139609-20-4
• SMILES: [N+](=NC1=CC=C2C(=C1)OC(=O)C(=C2C)CC(=O)NCCSSCCC(ON3C(=O)C([S]([O-])(=O)=O)CC3=O)=O)=[N-].[Na+]
• InChI: 1S/C21H21N5O10S3.Na/c1-11-13-3-2-12(24-25-22)8-15(13)35-21(31)14(11)9-17(27)23-5-7-38-37-6-4-19(29)36-26-18(28)10-16(20(26)30)39(32,33)34;/h2-3,8,16H,4-7,9-10H2,1H3,(H,23,27)(H,32,33,34);/q;+1/p-1
• InChIKey: NDDXBASIVDLAME-UHFFFAOYSA-M