(2S)-2-[[(2S)-2-Amino-3-[3-(2-Furan-2-Ylprop-2-Enoyl)Phenyl]Propanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 134876-52-1]

Identification

• Name: (2S)-2-[[(2S)-2-Amino-3-[3-(2-Furan-2-Ylprop-2-Enoyl)Phenyl]Propanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-Amino-3-[3-[2-(2-Furyl)Prop-2-Enoyl]Phenyl]Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-Amino-3-[3-[2-(2-Furyl)-1-Oxoprop-2-Enyl]Phenyl]-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-Amino-3-[3-[2-(2-Furyl)Acryloyl]Phenyl]Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₂H₂₆N₂O₅
• Molecular Weight: 398.46
• CAS Registry Number: 134876-52-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](N)CC1=CC=CC(=C1)C(C(=C)C2=CC=CO2)=O)=O)CC(C)C
• InChI: 1S/C22H26N2O5/c1-13(2)10-18(22(27)28)24-21(26)17(23)12-15-6-4-7-16(11-15)20(25)14(3)19-8-5-9-29-19/h4-9,11,13,17-18H,3,10,12,23H2,1-2H3,(H,24,26)(H,27,28)/t17-,18-/m0/s1
• InChIKey: QMWCKLBYCNRQOR-ROUUACIJSA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 663.647°C at 760 mmHg (Cal.)
• Flash point: 355.161°C (Cal.)