3QR

[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside



Chemical Component Summary

Name[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside
Identifiers6-[4-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one
FormulaC16 H18 N4 O9 S
Molecular Weight442.401
TypeNON-POLYMER
Isomeric SMILESc1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O
InChIInChI=1S/C16H18N4O9S/c21-5-10-12(22)13(23)14(24)16(29-10)28-6-7-4-20(19-17-7)8-1-2-9-11(3-8)30(26,27)18-15(9)25/h1-4,10,12-14,16,21-24H,5-6H2,(H,18,25)/t10-,12+,13-,14+,16+/m0/s1
InChIKeyCUFOYUJLNJPOJR-HSMHQDCBSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count5
Bond Count51
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 137348166