2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxypyridin-2-Yl)-3-Methylbutanoyl]Amino]-2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Acetyl]Amino]Pentanedioic Acid
[CAS# 77368-59-3]

Identification

• Name: 2-[[2-[[2-Amino-4-Hydroxy-4-(5-Hydroxypyridin-2-Yl)-3-Methylbutanoyl]Amino]-2-[5-(2,4-Dioxopyrimidin-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-(2,4-Dioxopyrimidin-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-(2,4-Dioxo-1-Pyrimidinyl)-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-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₃₂N₆O₁₃
• Molecular Weight: 624.56
• CAS Registry Number: 77368-59-3
• SMILES: C1=C(N=CC(=C1)O)C(C(C(C(NC(C3OC(N2C(NC(C=C2)=O)=O)C(C3O)O)C(NC(C(=O)O)CCC(=O)O)=O)=O)N)C)O
• InChI: 1S/C25H32N6O13/c1-9(17(36)11-3-2-10(32)8-27-11)15(26)21(39)30-16(22(40)28-12(24(41)42)4-5-14(34)35)20-18(37)19(38)23(44-20)31-7-6-13(33)29-25(31)43/h2-3,6-9,12,15-20,23,32,36-38H,4-5,26H2,1H3,(H,28,40)(H,30,39)(H,34,35)(H,41,42)(H,29,33,43)
• InChIKey: JGINXUGXMDDSJF-UHFFFAOYSA-N

Properties

• Density: 1.625g/cm³ (Cal.)