(2S)-2-[[(E)-2-(Furan-2-Carbonylamino)-4-Methylpent-2-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid
[CAS# 158114-64-8]

Identification

• Name: (2S)-2-[[(E)-2-(Furan-2-Carbonylamino)-4-Methylpent-2-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid
• Synonyms: (2S)-2-[[(E)-2-(Furan-2-Carbonylamino)-4-Methyl-Pent-2-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2S)-2-[[(E)-2-[(2-Furyl-Oxomethyl)Amino]-4-Methyl-1-Oxopent-2-Enyl]Amino]-3-(1H-Indol-3-Yl)Propanoic Acid; (2S)-2-[[(E)-2-(Furan-2-Carbonylamino)-4-Methyl-Pent-2-Enoyl]Amino]-3-(1H-Indol-3-Yl)Propionic Acid
• Molecular Formula: C₂₂H₂₃N₃O₅
• Molecular Weight: 409.44
• CAS Registry Number: 158114-64-8
• SMILES: [C@@H](CC1=C[NH]C2=C1C=CC=C2)(NC(\C(=C/C(C)C)NC(=O)C3=CC=CO3)=O)C(=O)O
• InChI: 1S/C22H23N3O5/c1-13(2)10-17(24-21(27)19-8-5-9-30-19)20(26)25-18(22(28)29)11-14-12-23-16-7-4-3-6-15(14)16/h3-10,12-13,18,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/b17-10+/t18-/m0/s1
• InChIKey: XYASBZZQARZCQJ-LTXFRBGYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 772.634°C at 760 mmHg (Cal.)
• Flash point: 421.074°C (Cal.)