Glutathione-Dehydroretronecine Conjugate
[CAS# 64660-86-2]

Identification

• Name: Glutathione-Dehydroretronecine Conjugate
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(1R)-7-(Hydroxymethyl)-2,3-Dihydro-1H-Pyrrolizin-1-Yl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(1R)-7-(Hydroxymethyl)-2,3-Dihydro-1H-Pyrrolizin-1-Yl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Keto-1-[[[(1R)-7-Methylol-2,3-Dihydro-1H-Pyrrolizin-1-Yl]Thio]Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₆N₄O₇S
• Molecular Weight: 442.49
• CAS Registry Number: 64660-86-2
• SMILES: [C@H]1(CC[N]2C1=C(C=C2)CO)SC[C@@H](C(NCC(=O)O)=O)NC(CC[C@@H](C(=O)O)N)=O
• InChI: 1S/C18H26N4O7S/c19-11(18(28)29)1-2-14(24)21-12(17(27)20-7-15(25)26)9-30-13-4-6-22-5-3-10(8-23)16(13)22/h3,5,11-13,23H,1-2,4,6-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t11-,12-,13+/m0/s1
• InChIKey: VGNGDXGMOUMTSQ-RWMBFGLXSA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 913.844°C at 760 mmHg (Cal.)
• Flash point: 506.475°C (Cal.)