(2S)-2-Amino-5-[[(2R)-3-(2-Amino-2-Oxoethyl)Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 78723-99-6]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-3-(2-Amino-2-Oxoethyl)Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-[(2-Amino-2-Oxo-Ethyl)Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[(2-Amino-2-Oxoethyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[(2-Amino-2-Keto-Ethyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₂H₂₀N₄O₇S
• Molecular Weight: 364.37
• CAS Registry Number: 78723-99-6
• SMILES: [C@@H](CSCC(=O)N)(NC(CC[C@@H](C(=O)O)N)=O)C(NCC(=O)O)=O
• InChI: 1S/C12H20N4O7S/c13-6(12(22)23)1-2-9(18)16-7(4-24-5-8(14)17)11(21)15-3-10(19)20/h6-7H,1-5,13H2,(H2,14,17)(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1
• InChIKey: SUFIKXONQSLMKR-BQBZGAKWSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 888.217°C at 760 mmHg (Cal.)
• Flash point: 490.976°C (Cal.)