(2S)-4-Methylsulfanyl-2-[[(Z)-Octadec-9-Enoyl]Amino]Butanoic Acid
[CAS# 38665-30-4]

Identification

• Name: (2S)-4-Methylsulfanyl-2-[[(Z)-Octadec-9-Enoyl]Amino]Butanoic Acid
• Synonyms: (2S)-4-(Methylthio)-2-[[(Z)-1-Oxooctadec-9-Enyl]Amino]Butanoic Acid; (2S)-4-(Methylthio)-2-[[(Z)-Octadec-9-Enoyl]Amino]Butyric Acid; (Z)-N-(1-Oxooctadec-9-En-1-Yl)-L-Methionine
• Molecular Formula: C₂₃H₄₃NO₃S
• Molecular Weight: 413.66
• CAS Registry Number: 38665-30-4 (51570-50-4)
• EINECS: 254-073-0
• SMILES: [C@H](C(=O)O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)CCSC
• InChI: 1S/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)/b11-10-/t21-/m0/s1
• InChIKey: ATFITIQQSWCPIQ-XPTLAUCJSA-N

Properties

• Density: 0.993g/cm³ (Cal.)
• Boiling point: 600.299°C at 760 mmHg (Cal.)
• Flash point: 316.849°C (Cal.)