36467-68-2, 五乙酰基壳五糖, N,N',N'',N''',N''''-Pentaacetyl chitopentaose, CAS:36467-68-2

36467-68-2, 五乙酰基壳五糖,
N,N',N'',N''',N''''-Pentaacetyl chitopentaose,
CAS:36467-68-2

五乙酰基壳五糖,

N,N',N'',N''',N''''-Pentaacetyl chitopentaose

Chitopentaose is a pentaacetyl derivative of the sugar chitohexaose. It is an oligosaccharide that has been shown to inhibit the activity of glycosidases and lectins, which may be due to its high affinity to these enzymes. Chitopentaose has also been found to bind to insulin receptors in the human tumor cell line A-20, leading to a reduction in tumor growth. The molecule also inhibits the transcriptional regulation of genes encoding for penicillin-binding protein, mouse tumor necrosis factor, and α1-acid glycoprotein.

CAS Number	36467-68-2
Product Name	N,N',N'',N''',N''''-Pentaacetylchitopentaose
IUPAC Name	N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Formula	C40H67N5O26
Molecular Weight	1034 g/mol
InChI	InChI=1S/C40H67N5O26/c1-11(51)41-21-28(58)32(17(7-47)63-36(21)62)68-38-23(43-13(3)53)30(60)34(19(9-49)65-38)70-40-25(45-15(5)55)31(61)35(20(10-50)67-40)71-39-24(44-14(4)54)29(59)33(18(8-48)66-39)69-37-22(42-12(2)52)27(57)26(56)16(6-46)64-37/h16-40,46-50,56-62H,6-10H2,1-5H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,45,55)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37+,38+,39+,40+/m1/s1
InChI Key	BZBKTWJIYTYFBH-YSJWDAEMSA-N
SMILES	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O
Synonyms	GlcNAc1-b-4-GlcNAc1-b-4GlcNAc1-b-4GlcNAc1-b-4GlcNAc
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O