Acetyldehydro-3-(2-Thienyl)Alanyltyrosine
[CAS# 68762-78-7]

Identification

• Name: Acetyldehydro-3-(2-Thienyl)Alanyltyrosine
• Synonyms: (2S)-2-[[(Z)-2-Acetamido-3-(2-Thienyl)Prop-2-Enoyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(Z)-2-Acetamido-1-Oxo-3-(2-Thienyl)Prop-2-Enyl]Amino]-3-(4-Hydroxyphenyl)Propanoic Acid; (2S)-2-[[(Z)-2-Acetamido-3-(2-Thienyl)Acryloyl]Amino]-3-(4-Hydroxyphenyl)Propionic Acid
• Molecular Formula: C₁₈H₁₈N₂O₅S
• Molecular Weight: 374.41
• CAS Registry Number: 68762-78-7
• SMILES: [C@H](NC(/C(=C/C1=CC=CS1)NC(C)=O)=O)(CC2=CC=C(C=C2)O)C(O)=O
• InChI: 1S/C18H18N2O5S/c1-11(21)19-15(10-14-3-2-8-26-14)17(23)20-16(18(24)25)9-12-4-6-13(22)7-5-12/h2-8,10,16,22H,9H2,1H3,(H,19,21)(H,20,23)(H,24,25)/b15-10-/t16-/m0/s1
• InChIKey: FJPSVDIQXPBFGT-IZNAZMGOSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 773.355°C at 760 mmHg (Cal.)
• Flash point: 421.51°C (Cal.)