5-Acetamido-9-(3-Fluoresceinylthioureido)-3,5,9-Trideoxy-2-Nonulosonsonic Acid
[CAS# 118694-47-6]

Identification

• Name: 5-Acetamido-9-(3-Fluoresceinylthioureido)-3,5,9-Trideoxy-2-Nonulosonsonic Acid
• Synonyms: (4S,5R,6R,7R,8R)-5-Acetamido-9-[(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Carbamothioylamino]-4,6,7,8-Tetrahydroxy-2-Oxo-Nonanoic Acid; (4S,5R,6R,7R,8R)-5-Acetamido-9-[[[(3',6'-Dihydroxy-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)Amino]-Thioxomethyl]Amino]-4,6,7,8-Tetrahydroxy-2-Oxononanoic Acid; (4S,5R,6R,7R,8R)-5-Acetamido-9-[(3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)Thiocarbamoylamino]-4,6,7,8-Tetrahydroxy-2-Keto-Pelargonic Acid
• Molecular Formula: C₃₂H₃₁N₃O₁₃S
• Molecular Weight: 697.67
• CAS Registry Number: 118694-47-6
• SMILES: [C@@H](O)(CNC(=S)NC2=CC=C1C3(OC(=O)C1=C2)C5=C(OC4=C3C=CC(=C4)O)C=C(O)C=C5)[C@@H](O)[C@H](O)[C@H](NC(=O)C)[C@@H](O)CC(=O)C(=O)O
• InChI: 1S/C32H31N3O13S/c1-13(36)34-26(21(39)11-22(40)29(44)45)28(43)27(42)23(41)12-33-31(49)35-14-2-5-18-17(8-14)30(46)48-32(18)19-6-3-15(37)9-24(19)47-25-10-16(38)4-7-20(25)32/h2-10,21,23,26-28,37-39,41-43H,11-12H2,1H3,(H,34,36)(H,44,45)(H2,33,35,49)/t21-,23+,26+,27+,28+/m0/s1
• InChIKey: GDIQTXRCPOSDOR-VXFCOHMTSA-N