(2S)-2-Acetamido-4-[2-Oxo-2-(Phenyl-Propan-2-Ylamino)Ethyl]Sulfanylbutanoic Acid
[CAS# 142353-11-5]

Identification

• Name: (2S)-2-Acetamido-4-[2-Oxo-2-(Phenyl-Propan-2-Ylamino)Ethyl]Sulfanylbutanoic Acid
• Synonyms: (2S)-2-Acetamido-4-[2-(Isopropyl-Phenyl-Amino)-2-Oxo-Ethyl]Sulfanyl-Butanoic Acid; (2S)-2-Acetamido-4-[[2-(Isopropyl-Phenylamino)-2-Oxoethyl]Thio]Butanoic Acid; (2S)-2-Acetamido-4-[[2-(Isopropyl-Phenyl-Amino)-2-Keto-Ethyl]Thio]Butyric Acid
• Molecular Formula: C₁₇H₂₄N₂O₄S
• Molecular Weight: 352.45
• CAS Registry Number: 142353-11-5
• SMILES: [C@H](C(=O)O)(NC(=O)C)CCSCC(=O)N(C1=CC=CC=C1)C(C)C
• InChI: 1S/C17H24N2O4S/c1-12(2)19(14-7-5-4-6-8-14)16(21)11-24-10-9-15(17(22)23)18-13(3)20/h4-8,12,15H,9-11H2,1-3H3,(H,18,20)(H,22,23)/t15-/m0/s1
• InChIKey: YSDQKENKWNYMPI-HNNXBMFYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 590.341°C at 760 mmHg (Cal.)
• Flash point: 310.827°C (Cal.)