1-[2-[(2-Amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethenylazetidine-2-carboxylic acid
[CAS# 22886-46-0]

Identification

• Name: 1-[2-[(2-Amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethenylazetidine-2-carboxylic acid
• Synonyms: 1-[2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]-3-Vinyl-Azetidine-2-Carboxylic Acid; 1-[2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-1-Oxopentyl)Amino]-2-[5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-1-Oxoethyl]-3-Vinyl-2-Azetidinecarboxylic Acid; 1-[2-[(2-Amino-5-Carbamoyloxy-3,4-Dihydroxy-Pentanoyl)Amino]-2-[5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]-3-Vinyl-Azetidine-2-Carboxylic Acid
• Molecular Formula: C₂₂H₃₀N₆O₁₃
• Molecular Weight: 586.51
• CAS Registry Number: 22886-46-0
• SMILES: C(OC(=O)N)C(O)C(O)C(N)C(=O)NC(C2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(=O)N3C(C(C3)C=C)C(=O)O
• InChI: 1S/C22H30N6O13/c1-2-7-5-28(12(7)20(36)37)18(35)11(26-17(34)10(23)13(31)8(29)6-40-21(24)38)16-14(32)15(33)19(41-16)27-4-3-9(30)25-22(27)39/h2-4,7-8,10-16,19,29,31-33H,1,5-6,23H2,(H2,24,38)(H,26,34)(H,36,37)(H,25,30,39)
• InChIKey: ZPFCQISXNWZNCT-UHFFFAOYSA-N

Properties

• Density: 1.727g/cm³ (Cal.)