(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Hydroxymethylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 32260-87-0]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Hydroxymethylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(Hydroxymethylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Hydroxymethylthio)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Keto-1-[(Methylolthio)Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₁H₁₉N₃O₇S
• Molecular Weight: 337.35
• CAS Registry Number: 32260-87-0
• SMILES: [C@H](N)(CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O
• InChI: 1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
• InChIKey: PIUSLWSYOYFRFR-BQBZGAKWSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 810.601°C at 760 mmHg (Cal.)
• Flash point: 444.036°C (Cal.)

References

• (1): Richard J. Hopkinson, Philippa S. Barlow, Christopher J. Schofield and Timothy D. W. Claridge. Studies on the reaction of glutathione and formaldehyde using NMR, Org. Biomol. Chem., 2010, 8, 4915.