Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1)

CAS Registry Number®

16055-80-4

CAS Name

Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1)

Molecular Formula

C10H12N2O3.H2O4S

Cite this Page

Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16055-80-4 (retrieved 2024-11-22) (CAS RN: 16055-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O3.H2O4S/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4)/t8-;/m0./s1

InChIKey

InChIKey=KAXRWMOLNJZCEW-QRPNPIFTSA-N

SMILES

S(=O)(=O)(O)O.C(C[C@@H](C(O)=O)N)(=O)C1=C(N)C=CC=C1

Canonical SMILES

O=C(O)C(N)CC(=O)C=1C=CC=CC1N.O=S(=O)(O)O

Other Names for this Substance

  • Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1)
  • Alanine, 3-anthraniloyl-, sulfate (1:1)
  • Benzenebutanoic acid, α,2-diamino-γ-oxo-, (S)-, sulfate (1:1)
  • Kynurenine sulfate
  • L-3-Anthraniloylalanine sulfate (1:1)

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Deleted or Replaced CAS Registry Numbers

17268-44-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration