2-Amino-4-{4-(2-amino-2-carboxyethyl)-1-[5-amino-2-(D-galactopyranosyloxy)-6-hydroxy-6-oxohexyl]-5-hydroxy-3-pyridiniumyl}butanoate
[CAS# 87672-07-9]

Identification

• Name: 2-Amino-4-{4-(2-amino-2-carboxyethyl)-1-[5-amino-2-(D-galactopyranosyloxy)-6-hydroxy-6-oxohexyl]-5-hydroxy-3-pyridiniumyl}butanoate
• Synonyms: Galactosylpyridinoline; Pyridinium, 4-(2-amino-2-carboxyethyl)-1-(5-amino-5-carboxy-2-(galactosyloxy)pentyl)-3-(3-amino-3-carboxypropyl)-5-hydroxy-, hydroxide, inner salt
• Molecular Formula: C₂₄H₃₈N₄O₁₃
• Molecular Weight: 590.58
• CAS Registry Number: 87672-07-9
• SMILES: [O-]C(=O)C(N)CCc1c[n+](cc(O)c1CC(C(=O)O)N)CC(OC2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)CCC(C(=O)O)N
• InChI: 1S/C24H38N4O13/c25-13(21(34)35)3-1-10-6-28(8-16(30)12(10)5-15(27)23(38)39)7-11(2-4-14(26)22(36)37)40-24-20(33)19(32)18(31)17(9-29)41-24/h6,8,11,13-15,17-20,24,29,31-33H,1-5,7,9,25-27H2,(H3-,30,34,35,36,37,38,39)/t11?,13?,14?,15?,17-,18+,19+,20-,24?/m1/s1
• InChIKey: JSIZNMXPORTGJM-DNFNYBGQSA-N