(5-Cinnamido-4-Oxo-6-Phenylhexanoyl)Prolyl-Proline
[CAS# 121822-29-5]

Identification

• Name: (5-Cinnamido-4-Oxo-6-Phenylhexanoyl)Prolyl-Proline
• Synonyms: (2S)-1-[[(2S)-1-[1,4-Dioxo-5-[[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]-6-Phenylhexyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-1-[4-Keto-6-Phenyl-5-[[(E)-3-Phenylacryloyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Proline; (2S)-1-[(2S)-1-[4-Oxo-6-Phenyl-5-[[(E)-3-Phenylprop-2-Enoyl]Amino]Hexanoyl]Pyrrolidin-2-Yl]Carbonylpyrrolidine-2-Carboxylic Acid
• Molecular Formula: C₃₁H₃₅N₃O₆
• Molecular Weight: 545.63
• CAS Registry Number: 121822-29-5
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@H]2N(CCC2)C(CCC(C(CC3=CC=CC=C3)NC(\C=C\C4=CC=CC=C4)=O)=O)=O)=O
• InChI: 1S/C31H35N3O6/c35-27(16-18-29(37)33-19-7-13-25(33)30(38)34-20-8-14-26(34)31(39)40)24(21-23-11-5-2-6-12-23)32-28(36)17-15-22-9-3-1-4-10-22/h1-6,9-12,15,17,24-26H,7-8,13-14,16,18-21H2,(H,32,36)(H,39,40)/b17-15+/t24?,25-,26-/m0/s1
• InChIKey: DMQWIWWUQXRXSS-KNDPRKAVSA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 869.026°C at 760 mmHg (Cal.)
• Flash point: 479.37°C (Cal.)