4-Amino-3-[(E)-4-[(1,4-Dioxo-2,3-Dihydrophthalazin-5-Yl)Amino]-4-Oxobut-2-Enoyl]Oxybutanoic Acid
[CAS# 76966-72-8]

Identification

• Name: 4-Amino-3-[(E)-4-[(1,4-Dioxo-2,3-Dihydrophthalazin-5-Yl)Amino]-4-Oxobut-2-Enoyl]Oxybutanoic Acid
• Synonyms: 4-Amino-3-[(E)-4-[(1,4-Dioxo-2,3-Dihydrophthalazin-5-Yl)Amino]-4-Oxo-But-2-Enoyl]Oxy-Butanoic Acid; 4-Amino-3-[(E)-4-[(1,4-Dioxo-2,3-Dihydrophthalazin-5-Yl)Amino]-1,4-Dioxobut-2-Enoxy]Butanoic Acid; 4-Amino-3-[(E)-4-[(1,4-Diketo-2,3-Dihydrophthalazin-5-Yl)Amino]-4-Keto-But-2-Enoyl]Oxy-Butyric Acid
• Molecular Formula: C₁₆H₁₆N₄O₇
• Molecular Weight: 376.33
• CAS Registry Number: 76966-72-8
• SMILES: C2=C(NC(/C=C/C(=O)OC(CN)CC(=O)O)=O)C1=C(C(NNC1=O)=O)C=C2
• InChI: 1S/C16H16N4O7/c17-7-8(6-12(22)23)27-13(24)5-4-11(21)18-10-3-1-2-9-14(10)16(26)20-19-15(9)25/h1-5,8H,6-7,17H2,(H,18,21)(H,19,25)(H,20,26)(H,22,23)/b5-4+
• InChIKey: UBZXAFDQTMZGQZ-SNAWJCMRSA-N

Properties

• Density: 1.51g/cm³ (Cal.)