S-(1-Phenyl-2-Hydroxyethyl)Glutathione
[CAS# 64186-97-6]

Identification

• Name: S-(1-Phenyl-2-Hydroxyethyl)Glutathione
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(2-Hydroxy-1-Phenyl-Ethyl)Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2-Hydroxy-1-Phenylethyl)Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(2-Hydroxy-1-Phenyl-Ethyl)Thio]Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₅N₃O₇S
• Molecular Weight: 427.47
• CAS Registry Number: 64186-97-6
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CSC(C1=CC=CC=C1)CO
• InChI: 1S/C18H25N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)10-29-14(9-22)11-4-2-1-3-5-11/h1-5,12-14,22H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,14?/m0/s1
• InChIKey: CZKKOKOXWRMXOQ-RFHHWMCGSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 851.757°C at 760 mmHg (Cal.)
• Flash point: 468.926°C (Cal.)