Chemical Component Summary

NameO-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
SynonymsPUGNAc
Identifiers[(Z)-[(3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
FormulaC15 H19 N3 O7
Molecular Weight353.327
TypeNON-POLYMER
Isomeric SMILESCC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O
InChIInChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
InChIKeyPBLNJFVQMUMOJY-JXZOILRNSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count45
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL404482
PubChem 9576811
ChEMBL CHEMBL404482
CCDC/CSD DOXNOW