2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxypyridin-2-Yl)-3-Methylbutanoyl]Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Acetyl]Amino]Pentanedioic Acid
[CAS# 77368-60-6]

Identification

• Name: 2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxypyridin-2-Yl)-3-Methylbutanoyl]Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Acetyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-Butanoyl]Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]Amino]Pentanedioic Acid; 2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-1-Oxobutyl]Amino]-2-[5-(4-Formyl-2-Oxo-3H-Imidazol-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-1-Oxoethyl]Amino]Pentanedioic Acid; 2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-Butanoyl]Amino]-2-[5-(4-Formyl-2-Keto-3H-Imidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₃₂N₆O₁₃
• Molecular Weight: 624.56
• CAS Registry Number: 77368-60-6
• SMILES: C1=CC(=CN=C1C(O)C(C(N)C(=O)NC(C3OC(N2C(=O)NC(=C2)C=O)C(O)C3O)C(=O)NC(C(=O)O)CCC(=O)O)C)O
• InChI: 1S/C25H32N6O13/c1-9(17(36)12-3-2-11(33)6-27-12)15(26)21(39)30-16(22(40)29-13(24(41)42)4-5-14(34)35)20-18(37)19(38)23(44-20)31-7-10(8-32)28-25(31)43/h2-3,6-9,13,15-20,23,33,36-38H,4-5,26H2,1H3,(H,28,43)(H,29,40)(H,30,39)(H,34,35)(H,41,42)
• InChIKey: LCKTVQPHDUFHML-UHFFFAOYSA-N

Properties

• Density: 1.667g/cm³ (Cal.)