Oleoylalanyl-Alanyl-Prolyl-N-Propylvalinamide
[CAS# 121258-39-7]

Identification

• Name: Oleoylalanyl-Alanyl-Prolyl-N-Propylvalinamide
• Synonyms: (2S)-N-[(2S)-3-Methyl-2-Propylamino-Butanoyl]-1-[(2S)-2-[[(2S)-2-[[(Z)-Octadec-9-Enoyl]Amino]Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(2S)-3-Methyl-1-Oxo-2-Propylaminobutyl]-1-[(2S)-1-Oxo-2-[[(2S)-1-Oxo-2-[[(Z)-1-Oxooctadec-9-Enyl]Amino]Propyl]Amino]Propyl]-2-Pyrrolidinecarboxamide; L-Valinamide, N-(1-Oxo-9-Octadecenyl)-L-Alanyl-L-Alanyl-L-Prolyl-N-Propyl-, (Z)-
• Molecular Formula: C₃₇H₆₇N₅O₅
• Molecular Weight: 661.97
• CAS Registry Number: 121258-39-7
• SMILES: [C@H](C(=O)NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC(CCCCCCC\C=C/CCCCCCCC)=O)C)=O)C)=O)=O)(NCCC)C(C)C
• InChI: 1S/C37H67N5O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32(43)39-29(5)34(44)40-30(6)37(47)42-27-23-24-31(42)35(45)41-36(46)33(28(3)4)38-26-8-2/h15-16,28-31,33,38H,7-14,17-27H2,1-6H3,(H,39,43)(H,40,44)(H,41,45,46)/b16-15-/t29-,30-,31-,33-/m0/s1
• InChIKey: IAQMBFBKDAKXNQ-DRAQGEPQSA-N

Properties

• Density: 1.03g/cm³ (Cal.)
• Boiling point: 839.427°C at 760 mmHg (Cal.)
• Flash point: 461.469°C (Cal.)