2-Indol-3-Yl-4-Oxo-4-Phenylbutanoic Acid
[CAS# 6266-66-6]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Leucine derivative
• Name: 2-Indol-3-Yl-4-Oxo-4-Phenylbutanoic Acid
• Synonyms: (2S)-2-(1H-Indol-3-Yl)-4-Oxo-4-Phenyl-Butanoate; (2S)-2-(1H-Indol-3-Yl)-4-Keto-4-Phenyl-Butyrate; Zinc00350706
• Molecular Formula: C₁₈H₁₄NO₃
• Molecular Weight: 292.31
• CAS Registry Number: 6266-66-6
• SMILES: [C@H](C1=C[NH]C2=C1C=CC=C2)(C([O-])=O)CC(=O)C3=CC=CC=C3
• InChI: 1S/C18H15NO3/c20-17(12-6-2-1-3-7-12)10-14(18(21)22)15-11-19-16-9-5-4-8-13(15)16/h1-9,11,14,19H,10H2,(H,21,22)/p-1/t14-/m0/s1
• InChIKey: SJVMWLJNHPHNPT-AWEZNQCLSA-M

Properties

• Boiling point: 568.976°C at 760 mmHg (Cal.)
• Flash point: 297.906°C (Cal.)