Fmoc-Thr(Ac4Galβ1-3Ac2GalNAcα)-OH

Fmoc-Threonine (N-(9-fluorenylmethoxycarbonyl)-L-threonine) modified with an acetylated Galactose residue at the β1-3 position and an acetylated N-acetylgalactosamine residue at the α position.

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CAT#	CP27753
Chemical Structure
CAS	125760-33-0
Synonyms/Alias	Fmoc-Thr[alpha-(Gal-beta(1-3)-GalNAc)]-OH peracetate
Chemical Name	(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
M.F/Formula	C45H54N2O21
M.W/Mr.	958.92

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InChI	InChI=1S/C45H54N2O21/c1-20(35(42(55)56)47-45(57)60-17-32-30-15-11-9-13-28(30)29-14-10-12-16-31(29)32)61-43-36(46-21(2)48)39(37(62-24(5)51)33(66-43)18-58-22(3)49)68-44-41(65-27(8)54)40(64-26(7)53)38(63-25(6)52)34(67-44)19-59-23(4)50/h9-16,20,32-41,43-44H,17-19H2,1-8H3,(H,46,48)(H,47,57)(H,55,56)/t20-,33-,34-,35+,36-,37+,38+,39-,40+,41-,43+,44+/m1/s1
InChI Key	ZSSXZUSKVRRKAI-UFQULINBSA-N
Canonical SMILES	CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
Isomeric SMILES	C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C