N-[(2R)-4-(β-D-Glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-β-alanine

CAS Registry Number®

29493-59-2

CAS Name

N-[(2R)-4-(β-D-Glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-β-alanine

Molecular Formula

C15H27NO10

Molecular Mass

381.38

Cite this Page

N-[(2R)-4-(β-D-Glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29493-59-2 (retrieved 2024-11-24) (CAS RN: 29493-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H27NO10/c1-15(2,12(23)13(24)16-4-3-8(18)19)6-25-14-11(22)10(21)9(20)7(5-17)26-14/h7,9-12,14,17,20-23H,3-6H2,1-2H3,(H,16,24)(H,18,19)/t7-,9-,10+,11-,12+,14-/m1/s1

InChIKey

InChIKey=GMURXYJSTRMISD-BGWRNRDFSA-N

SMILES

O(CC([C@H](C(NCCC(O)=O)=O)O)(C)C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=C(O)CCNC(=O)C(O)C(C)(C)COC1OC(CO)C(O)C(O)C1O

Other Names for this Substance

  • β-Alanine, N-[(2R)-4-(β-D-glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-
  • β-Alanine, N-[4-(β-D-glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutyryl]-, D-
  • β-Alanine, N-[4-(β-D-glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-, (R)-
  • N-[(2R)-4-(β-D-Glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]-β-alanine
  • 4′-O-(β-D-Glucopyranosyl)-D-pantothenic acid

CAS INSIGHTSTM
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