4-Nitrophenyl N,N’-diacetyl-b-D-chitobioside
4-Nitrophenyl N,N’-diacetyl-b-D-chitobioside is a fluorogenic substrate that can be used for the detection of chitinase activity. It has been shown to react with 4-nitrophenol and produce light when subjected to the enzyme chitinase. This product is not produced by an animal or plant, but does contain animal and plant derivatives.
CAS Number |
7284-16-4 |
Product Name |
4-Nitrophenyl N,N-Diacetyl-beta-D-chitobioside |
IUPAC Name |
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
Molecular Formula |
C22H31N3O13 |
Molecular Weight |
545.49 g/mol |
InChI |
InChI=1S/C22H31N3O13/c1-9(28)23-15-18(31)17(30)13(7-26)36-22(15)38-20-14(8-27)37-21(16(19(20)32)24-10(2)29)35-12-5-3-11(4-6-12)25(33)34/h3-6,13-22,26-27,30-32H,7-8H2,1-2H3,(H,23,28)(H,24,29)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+/m1/s1 |
InChI Key |
HWBFEVWOQMUQIE-MVEDJEFUSA-N |
SMILES |
CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])CO)CO)O)O |
Synonyms |
4-Nitrophenyl 2-(Acetylamino)-4-O-[2-(acetylamino)-2-deoxy-?-D-glucopyranosyl]-2-deoxy-?-D-glucopyranoside; p-Nitrophenyl-N,N?-diacetylchitobioside; |
Canonical SMILES |
CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-])CO)CO)O)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)OC3=CC=C(C=C3)[N+](=O)[O-])CO)CO)O)O |
CAS No: 7284-16-4
Synonyms: 4-Nitrophenyl 2-acetamido-2-deoxy-(4-O-2-acetamido-2-deoxy-b-D-glucopyranosyl)-b-D-glucopyranoside
MDL No: MFCD00133738
Chemical Formula: C22H31N3O13
Molecular Weight: 545.49
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