2-[[2-Amino-4-Hydroxy-4-(4-Hydroxyphenyl)-3-Methylbutanoyl]Amino]-2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Acetic Acid
[CAS# 74342-20-4]

Identification

• Name: 2-[[2-Amino-4-Hydroxy-4-(4-Hydroxyphenyl)-3-Methylbutanoyl]Amino]-2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Acetic Acid
• Synonyms: 2-[[2-Amino-4-Hydroxy-4-(4-Hydroxyphenyl)-3-Methyl-Butanoyl]Amino]-2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid; 2-[[2-Amino-4-Hydroxy-4-(4-Hydroxyphenyl)-3-Methyl-1-Oxobutyl]Amino]-2-[5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Acetic Acid; 2-[[2-Amino-4-Hydroxy-4-(4-Hydroxyphenyl)-3-Methyl-Butanoyl]Amino]-2-[5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₂₁H₂₆N₄O₁₀
• Molecular Weight: 494.46
• CAS Registry Number: 74342-20-4
• SMILES: C3=C(C(C(C(C(NC(C2OC(N1C(NC(C=C1)=O)=O)C(C2O)O)C(=O)O)=O)N)C)O)C=CC(=C3)O
• InChI: 1S/C21H26N4O10/c1-8(14(28)9-2-4-10(26)5-3-9)12(22)18(31)24-13(20(32)33)17-15(29)16(30)19(35-17)25-7-6-11(27)23-21(25)34/h2-8,12-17,19,26,28-30H,22H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)
• InChIKey: LQZKMASBFQOGJR-UHFFFAOYSA-N

Properties

• Density: 1.607g/cm³ (Cal.)