2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-8-Methyl-19-Oxooctacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
[CAS# 122005-24-7]

Identification

• Name: 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-8-Methyl-19-Oxooctacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
• Synonyms: 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxy-Amino)-2,3,5,7-Tetrahydroxy-8-Methyl-19-Oxo-Octacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid; 2-[[(12E,14E,20E,22E)-28-(Carbamimidoyl-Hydroxyamino)-2,3,5,7-Tetrahydroxy-8-Methyl-1,19-Dioxooctacosa-12,14,20,22-Tetraenyl]Amino]Acetic Acid; 2-[[(12E,14E,20E,22E)-28-(Amidino-Hydroxy-Amino)-2,3,5,7-Tetrahydroxy-19-Keto-8-Methyl-Octacosa-12,14,20,22-Tetraenoyl]Amino]Acetic Acid
• Molecular Formula: C₃₂H₅₄N₄O₉
• Molecular Weight: 638.80
• CAS Registry Number: 122005-24-7
• SMILES: C(C(O)C(O)C(=O)NCC(=O)O)C(O)CC(O)C(CCC\C=C\C=C\CCCC(=O)\C=C\C=C\CCCCCN(O)C(=N)N)C
• InChI: 1S/C32H54N4O9/c1-24(27(39)21-26(38)22-28(40)30(43)31(44)35-23-29(41)42)17-13-9-5-2-3-6-10-14-18-25(37)19-15-11-7-4-8-12-16-20-36(45)32(33)34/h2-3,5-7,11,15,19,24,26-28,30,38-40,43,45H,4,8-10,12-14,16-18,20-23H2,1H3,(H3,33,34)(H,35,44)(H,41,42)/b5-2+,6-3+,11-7+,19-15+
• InChIKey: YRBWJHGUKBSDDE-RLZHPBLRSA-N

Properties

• Density: 1.205g/cm³ (Cal.)