(2S)-2-Methyl-3-[(4-Methylphenyl)Sulfonyl-(Phenylmethyl)Amino]Propionic acid
[CAS# 301320-51-4]

Identification

• Name: (2S)-2-Methyl-3-[(4-Methylphenyl)Sulfonyl-(Phenylmethyl)Amino]Propionic acid
• Synonyms: (2S)-3-[Benzyl-(4-Methylphenyl)Sulfonyl-Amino]-2-Methyl-Propionate; Zinc00323624
• Molecular Formula: C₁₈H₂₀NO₄S
• Molecular Weight: 346.42
• CAS Registry Number: 301320-51-4
• SMILES: [C@@H](CN([S](=O)(=O)C1=CC=C(C=C1)C)CC2=CC=CC=C2)(C)C([O-])=O
• InChI: 1S/C18H21NO4S/c1-14-8-10-17(11-9-14)24(22,23)19(12-15(2)18(20)21)13-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,20,21)/p-1/t15-/m0/s1
• InChIKey: KGGQQAQHEMCAKI-HNNXBMFYSA-M

Properties

• Boiling point: 539.257°C at 760 mmHg (Cal.)
• Flash point: 279.933°C (Cal.)