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p-Nitrophenyl-N,N'-diacetylchitobiose
Properties
Image
Occurences in reactions
MNX_ID
MNXM168796
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
28
H
42
N
4
O
17
charge
0
mass
706.2545
reference
sabiorkM:28140
InChIKey
ZLUUIDQZRVPNSL-ANYFLBAHSA-N
InChI
InChI=1S/C28H42N4O17/c1-11(37)30-19-22(42)21(41)17(9-35)46-27(19)47-25-18(10-36)48-28(26(23(25)43)31-12(2)38,13-3-5-14(6-4-13)32(44)45)49-24(16(39)8-34)20(40)15(29)7-33/h3-7,15-27,34-36,39-43H,8-10,29H2,1-2H3,(H,30,37)(H,31,38)/t15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-/m0/s1
SMILES
CC(O)=N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)(c3ccc([N+](=O)[O-])cc3)[C@H](N=C(C)O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:28140
sabiorkM:28140
p-Nitrophenyl-N,N'-diacetylchitobiose