Chemical Compound

SCHEMBL4254841

CAS Registry Number 7699-38-9
SCHEMBL4254841 chemical structure
Primary Record

SCHEMBL4254841

In stock
2,323 g
Purity
98.1 %
CAS
7699-38-9

Compound Identifiers & Properties

CAS
7699-38-9
PubChem CID
53767134
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](OC([C@@H]([C@H]3O)N(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C)O)CO)CO)CO)O)O
Canonical SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N(C(C)=O)c3ccc([N+](=O)[O-])cc3)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

Names & Synonyms

  • SCHEMBL4254841
  • C30H44N4O18
  • 4-Nitrophenyl N,N',N''-triacetyl-beta-D-chitotriose
  • W0404
  • 7699-38-9
  • N-[(3R,4R,5S,6R)-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}-2,4-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]-N-(4-NITROPHENYL)ACETAMIDE