2-[[2-[(1S,2R)-2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Cyclopentyl]Oxy-4-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 109267-14-3]

Identification

• Name: 2-[[2-[(1S,2R)-2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Cyclopentyl]Oxy-4-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[(1S,2R)-2-[2-(Bis(Carboxymethyl)Amino)-5-Methyl-Phenoxy]Cyclopentoxy]-4-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[(1S,2R)-2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Cyclopentoxy]-4-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[(1S,2R)-2-[2-(Bis(Carboxymethyl)Amino)-5-Methyl-Phenoxy]Cyclopentyl]Oxy-4-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenyl]-(Carboxymethyl)Amino]Ethanoic Acid
• Molecular Formula: C₃₄H₃₅N₃O₁₅
• Molecular Weight: 725.66
• CAS Registry Number: 109267-14-3
• SMILES: [C@@H]5(OC1=CC(=CC=C1N(CC(=O)O)CC(=O)O)C(O)C3=C([N+]([O-])=O)C=C2OCOC2=C3)[C@H](OC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)C)CCC5
• InChI: 1S/C34H35N3O15/c1-18-5-7-21(35(13-30(38)39)14-31(40)41)26(9-18)51-24-3-2-4-25(24)52-27-10-19(6-8-22(27)36(15-32(42)43)16-33(44)45)34(46)20-11-28-29(50-17-49-28)12-23(20)37(47)48/h5-12,24-25,34,46H,2-4,13-17H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)/t24-,25+,34?/m1/s1
• InChIKey: YJWKNHUIANVYJG-OWKMTWDVSA-N