(2S)-2-Amino-5-[[(2R)-1-Ethoxy-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 114627-30-4]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-Ethoxy-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-Ethoxy-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-Ethoxy-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-Ethoxy-2-Keto-1-(Mercaptomethyl)Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₀H₁₈N₂O₅S
• Molecular Weight: 278.32
• CAS Registry Number: 114627-30-4
• SMILES: [C@@H](NC(CC[C@@H](C(O)=O)N)=O)(C(OCC)=O)CS
• InChI: 1S/C10H18N2O5S/c1-2-17-10(16)7(5-18)12-8(13)4-3-6(11)9(14)15/h6-7,18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
• InChIKey: IVEKVTHFAJJKGA-BQBZGAKWSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 519.781°C at 760 mmHg (Cal.)
• Flash point: 268.154°C (Cal.)