S-(4-Nitrobenzyl)Glutathione
[CAS# 6803-19-6]

Identification

• Name: S-(4-Nitrobenzyl)Glutathione
• Synonyms: 2-Amino-5-[[2-(Carboxymethylamino)-1-[(4-Nitrophenyl)Methylsulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 2-Amino-5-[[2-(Carboxymethylamino)-1-[[(4-Nitrophenyl)Methylthio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 2-[[2-[(4-Amino-5-Hydroxy-5-Keto-Pentanoyl)Amino]-3-[(4-Nitrobenzyl)Thio]Propanoyl]Amino]Acetic Acid
• Molecular Formula: C₁₇H₂₂N₄O₈S
• Molecular Weight: 442.44
• CAS Registry Number: 6803-19-6
• SMILES: C1=C(CSCC(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)C=CC(=C1)[N+](=O)[O-]
• InChI: 1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)
• InChIKey: OAWORKDPTSAMBZ-UHFFFAOYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 877.056°C at 760 mmHg (Cal.)
• Flash point: 484.226°C (Cal.)