3-Amino-4,5-Dihydroxy-5-[[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl -Butyl]Carbamoyl]Pentanoic Acid
[CAS# 82768-33-0]

Identification

• Name: 3-Amino-4,5-Dihydroxy-5-[[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl -Butyl]Carbamoyl]Pentanoic Acid
• Synonyms: 3-Amino-4,5-Dihydroxy-6-[[1-(8-Hydroxy-1-Oxo-Isochroman-3-Yl)-3-Methyl-Butyl]Amino]-6-Oxo-Hexanoic Acid; 3-Amino-4,5-Dihydroxy-6-[[1-(8-Hydroxy-1-Oxo-3-Isochromanyl)-3-Methylbutyl]Amino]-6-Oxohexanoic Acid; 3-Amino-4,5-Dihydroxy-6-[[1-(8-Hydroxy-1-Keto-Isochroman-3-Yl)-3-Methyl-Butyl]Amino]-6-Keto-Hexanoic Acid
• Molecular Formula: C₂₀H₂₈N₂O₈
• Molecular Weight: 424.45
• CAS Registry Number: 82768-33-0
• SMILES: C1=C2C(=C(O)C=C1)C(OC(C(NC(C(C(C(CC(=O)O)N)O)O)=O)CC(C)C)C2)=O
• InChI: 1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)
• InChIKey: LOXFXXGTOVWWQV-UHFFFAOYSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 830.328°C at 760 mmHg (Cal.)
• Flash point: 455.966°C (Cal.)