Cinnamido-2-Methyl-5-Oxoheptanoyl-Prolyl-Arginine
[CAS# 114563-66-5]

Identification

• Name: Cinnamido-2-Methyl-5-Oxoheptanoyl-Prolyl-Arginine
• Synonyms: (2S)-5-Guanidino-2-[[(2S)-1-[7-Methyl-4-Oxo-5-[[(E)-3-Phenylprop-2-Enoyl]Amino]Octanoyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[[(2S)-1-[7-Methyl-1,4-Dioxo-5-[[(E)-1-Oxo-3-Phenylprop-2-Enyl]Amino]Octyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[[(2S)-1-[4-Keto-7-Methyl-5-[[(E)-3-Phenylacryloyl]Amino]Octanoyl]Pyrrolidine-2-Carbonyl]Amino]Valeric Acid
• Molecular Formula: C₂₉H₄₂N₆O₆
• Molecular Weight: 570.69
• CAS Registry Number: 114563-66-5
• SMILES: [C@@H]1(N(CCC1)C(=O)CCC(=O)C(NC(=O)\C=C\C2=CC=CC=C2)CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C29H42N6O6/c1-19(2)18-22(33-25(37)14-12-20-8-4-3-5-9-20)24(36)13-15-26(38)35-17-7-11-23(35)27(39)34-21(28(40)41)10-6-16-32-29(30)31/h3-5,8-9,12,14,19,21-23H,6-7,10-11,13,15-18H2,1-2H3,(H,33,37)(H,34,39)(H,40,41)(H4,30,31,32)/b14-12+/t21-,22?,23-/m0/s1
• InChIKey: STYWEFPKZWMXIX-XEQMMVGRSA-N

Properties

• Density: 1.291g/cm³ (Cal.)