1-(4-Nitrophenoxy)-3-(S-Glutathionyl)-2-Propanol
[CAS# 67881-51-0]

Identification

• Name: 1-(4-Nitrophenoxy)-3-(S-Glutathionyl)-2-Propanol
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[2-Hydroxy-3-(4-Nitrophenoxy)Propyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-Hydroxy-3-(4-Nitrophenoxy)Propyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[2-Hydroxy-3-(4-Nitrophenoxy)Propyl]Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₆N₄O₁₀S
• Molecular Weight: 502.50
• CAS Registry Number: 67881-51-0
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CSCC(O)COC1=CC=C([N+]([O-])=O)C=C1
• InChI: 1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-9-12(24)8-33-13-3-1-11(2-4-13)23(31)32/h1-4,12,14-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12?,14-,15-/m0/s1
• InChIKey: RIGGYUBYQPLACK-ZRNAQANOSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 976.481°C at 760 mmHg (Cal.)
• Flash point: 544.356°C (Cal.)