(2S)-2-Amino-4-[[(1R)-1-(Carboxymethylcarbamoyl)-2-(2-Hydroxypropanoylsulfanyl)Ethyl]Carbamoyl]Butanoic Acid
[CAS# 25138-66-3]

Identification

• Name: (2S)-2-Amino-4-[[(1R)-1-(Carboxymethylcarbamoyl)-2-(2-Hydroxypropanoylsulfanyl)Ethyl]Carbamoyl]Butanoic Acid
• Synonyms: 2-Amino-5-[[2-(Carboxymethylamino)-1-(2-Hydroxypropanoylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 2-Amino-5-[[2-(Carboxymethylamino)-1-[[(2-Hydroxy-1-Oxopropyl)Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 2-Amino-5-[[2-(Carboxymethylamino)-2-Keto-1-[(Lactoylthio)Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₃H₂₁N₃O₈S
• Molecular Weight: 379.38
• CAS Registry Number: 25138-66-3
• SMILES: C(C(NC(CCC(C(O)=O)N)=O)C(NCC(O)=O)=O)SC(C(C)O)=O
• InChI: 1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)
• InChIKey: VDYDCVUWILIYQF-UHFFFAOYSA-N

Properties

• Density: 1.473g/cm³ (Cal.)
• Boiling point: 806.081°C at 760 mmHg (Cal.)
• Flash point: 441.302°C (Cal.)