L-alpha-Glutamyl-S-(1,4-dihydroxy-3-methyl-2-naphthyl)-L-cysteinylglycine
[CAS# 88467-65-6]

Identification

• Name: L-alpha-Glutamyl-S-(1,4-dihydroxy-3-methyl-2-naphthyl)-L-cysteinylglycine
• Synonyms: 2-Methyl-3-glutathionyl-1,4-naphthoquinone; M-Gssg-NQ
• Molecular Formula: C₂₁H₂₅N₃O₈S
• Molecular Weight: 479.50
• CAS Registry Number: 88467-65-6
• SMILES: O=C(O)CC[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)O)CSc1c(O)c2c(c(O)c1C)cccc2
• InChI: 1S/C21H25N3O8S/c1-10-17(29)11-4-2-3-5-12(11)18(30)19(10)33-9-14(21(32)23-8-16(27)28)24-20(31)13(22)6-7-15(25)26/h2-5,13-14,29-30H,6-9,22H2,1H3,(H,23,32)(H,24,31)(H,25,26)(H,27,28)/t13-,14-/m0/s1
• InChIKey: CWPZEKLLKJXUHQ-KBPBESRZSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 921.431°C at 760 mmHg (Cal.)
• Flash point: 511.063°C (Cal.)