Oleoylalanyl-Alanyl-Prolyl-Valine Amide
[CAS# 121258-38-6]

Identification

• Name: Oleoylalanyl-Alanyl-Prolyl-Valine Amide
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]-N-[(1S)-2-Methyl-1-[[(Z)-Octadec-9-Enoyl]Carbamoyl]Propyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxopropyl]-N-[(1S)-2-Methyl-1-[Oxo-[[(Z)-1-Oxooctadec-9-Enyl]Amino]Methyl]Propyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2S)-2-(Alanylamino)Propanoyl]-N-[(1S)-2-Methyl-1-[[(Z)-Octadec-9-Enoyl]Carbamoyl]Propyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₄H₆₁N₅O₅
• Molecular Weight: 619.89
• CAS Registry Number: 121258-38-6
• SMILES: [C@H](C(=O)NC(CCCCCCC\C=C/CCCCCCCC)=O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](N)C)=O)C)=O)=O)C(C)C
• InChI: 1S/C34H61N5O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(40)37-33(43)30(25(2)3)38-32(42)28-22-21-24-39(28)34(44)27(5)36-31(41)26(4)35/h13-14,25-28,30H,6-12,15-24,35H2,1-5H3,(H,36,41)(H,38,42)(H,37,40,43)/b14-13-/t26-,27-,28-,30-/m0/s1
• InChIKey: JPYFZHKSMACEQL-CBEAGQJSSA-N

Properties

• Density: 1.054g/cm³ (Cal.)
• Boiling point: 827.201°C at 760 mmHg (Cal.)
• Flash point: 454.075°C (Cal.)