4-Isoxazolepropanoic acid, α-amino-2-β-D-glucopyranosyl-2,5-dihydro-5-oxo-, (S)-

CAS Registry Number®

29790-46-3

CAS Name

4-Isoxazolepropanoic acid, α-amino-2-β-D-glucopyranosyl-2,5-dihydro-5-oxo-, (S)-

Molecular Formula

C12H18N2O9

Molecular Mass

334.28

Cite this Page

4-Isoxazolepropanoic acid, α-amino-2-β-D-glucopyranosyl-2,5-dihydro-5-oxo-, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29790-46-3 (retrieved 2025-01-30) (CAS RN: 29790-46-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18N2O9/c13-5(11(19)20)1-4-2-14(23-12(4)21)10-9(18)8(17)7(16)6(3-15)22-10/h2,5-10,15-18H,1,3,13H2,(H,19,20)/t5-,6+,7+,8-,9+,10+/m0/s1

InChIKey

InChIKey=OURYTICKCZBKFC-LZISRMJESA-N

SMILES

O[C@H]1[C@H](N2C=C(C[C@@H](C(O)=O)N)C(=O)O2)O[C@H](CO)[C@@H](O)[C@@H]1O

Canonical SMILES

O=C(O)C(N)CC1=CN(OC1=O)C2OC(CO)C(O)C(O)C2O

Other Names for this Substance

  • 4-Isoxazolepropanoic acid, α-amino-2-β-D-glucopyranosyl-2,5-dihydro-5-oxo-, (S)-
  • 3-Isoxazoline-4-propionic acid, α-amino-2-β-D-glucopyranosyl-5-oxo-, L-
  • 2-(β,D-Glucopyranosyl)-4-alanyl-3-isoxazolin-5-one
  • β-(2-β-D-Glucopyranosyl-3-isoxazolin-5-on-4-yl)alanine