β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)

CAS Registry Number®

63409-48-3

CAS Name

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)

Molecular Formula

C9H17NO5.1/2Ca.1/2H2O

Cite this Page

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63409-48-3 (retrieved 2024-11-22) (CAS RN: 63409-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H17NO5.Ca.H2O/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2

InChIKey

InChIKey=SYQWOQFFWAJNPD-UHFFFAOYSA-N

SMILES

C(C(CO)(C)C)(C(NCCC(O)=O)=O)O.[Ca].O

Canonical SMILES

[Ca].O=C(O)CCNC(=O)C(O)C(C)(C)CO.O

Other Names for this Substance

  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)
  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate, (±)-
  • β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), monohydrate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration