S-Benzylglutathione
[CAS# 6803-17-4]

Identification

• Name: S-Benzylglutathione
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-(Phenylmethylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-1-Oxo-3-(Phenylmethylthio)Propyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-(Benzylthio)Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₇H₂₃N₃O₆S
• Molecular Weight: 397.45
• CAS Registry Number: 6803-17-4
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSCC1=CC=CC=C1
• InChI: 1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20(8-15(22)23)16(24)13(19)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18-19H2,(H,22,23)(H,25,26)/t12-,13-/m0/s1
• InChIKey: YQCILXFRGOTSAB-STQMWFEESA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 673.598°C at 760 mmHg (Cal.)
• Flash point: 361.179°C (Cal.)