(2S)-2-[Acetyl-[4-[1-(2-Hydroxy-4-Oxochromen-3-Yl)-3-Oxobutyl]Phenyl]Amino]-5-Amino-5-Oxopentanoic Acid
[CAS# 138680-82-7]

Identification

• Name: (2S)-2-[Acetyl-[4-[1-(2-Hydroxy-4-Oxochromen-3-Yl)-3-Oxobutyl]Phenyl]Amino]-5-Amino-5-Oxopentanoic Acid
• Synonyms: (2S)-2-[Acetyl-[4-[1-(2-Hydroxy-4-Oxo-Chromen-3-Yl)-3-Oxo-Butyl]Phenyl]Amino]-5-Amino-5-Oxo-Pentanoic Acid; (2S)-2-[Acetyl-[4-[1-(2-Hydroxy-4-Oxo-3-Chromenyl)-3-Oxobutyl]Phenyl]Amino]-5-Amino-5-Oxopentanoic Acid; (2S)-2-[Acetyl-[4-[1-(2-Hydroxy-4-Keto-Chromen-3-Yl)-3-Keto-Butyl]Phenyl]Amino]-5-Amino-5-Keto-Valeric Acid
• Molecular Formula: C₂₆H₂₆N₂O₈
• Molecular Weight: 494.50
• CAS Registry Number: 138680-82-7
• SMILES: [C@H](N(C3=CC=C(C(CC(=O)C)C2=C(OC1=CC=CC=C1C2=O)O)C=C3)C(=O)C)(CCC(=O)N)C(O)=O
• InChI: 1S/C26H26N2O8/c1-14(29)13-19(23-24(32)18-5-3-4-6-21(18)36-26(23)35)16-7-9-17(10-8-16)28(15(2)30)20(25(33)34)11-12-22(27)31/h3-10,19-20,35H,11-13H2,1-2H3,(H2,27,31)(H,33,34)/t19?,20-/m0/s1
• InChIKey: RJRCIBYVPQGUOG-ANYOKISRSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 789.416°C at 760 mmHg (Cal.)
• Flash point: 431.224°C (Cal.)