2,3-(Di-glutathion-S-yl)-1,4-naphthoquinone
[CAS# 107432-96-2]

Identification

• Name: 2,3-(Di-glutathion-S-yl)-1,4-naphthoquinone
• Synonyms: (2S)-2-Amino-5-[[(1S)-1-[3-[(1S)-1-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-2-(Carboxymethylamino)-2-Oxo-1-(Sulfanylmethyl)Ethyl]-1,4-Dioxo-2-Naphthyl]-2-(Carboxymethylamino)-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1S)-1-[3-[(1S)-1-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]Amino]-2-(Carboxymethylamino)-1-(Mercaptomethyl)-2-Oxoethyl]-1,4-Dioxo-2-Naphthyl]-2-(Carboxymethylamino)-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1S)-1-[3-[(1S)-1-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-2-(Carboxymethylamino)-2-Keto-1-(Mercaptomethyl)Ethyl]-1,4-Diketo-2-Naphthyl]-2-(Carboxymethylamino)-2-Keto-1-(Mercaptomethyl)Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₀H₃₆N₆O₁₄S₂
• Molecular Weight: 768.77
• CAS Registry Number: 107432-96-2
• SMILES: [C@@](C1=C(C(C2=C(C1=O)C=CC=C2)=O)[C@@](C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CS)(C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CS
• InChI: 1S/C30H36N6O14S2/c31-15(25(45)46)5-7-17(37)35-29(11-51,27(49)33-9-19(39)40)21-22(24(44)14-4-2-1-3-13(14)23(21)43)30(12-52,28(50)34-10-20(41)42)36-18(38)8-6-16(32)26(47)48/h1-4,15-16,51-52H,5-12,31-32H2,(H,33,49)(H,34,50)(H,35,37)(H,36,38)(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t15-,16-,29-,30-/m0/s1
• InChIKey: PYPHCUPQHPLOPW-RMYXUZSKSA-N

Properties

• Density: 1.577g/cm³ (Cal.)
• Boiling point: 1239.957°C at 760 mmHg (Cal.)
• Flash point: 703.701°C (Cal.)