Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1)
CAS Registry Number®
16055-80-4
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CAS Name
Benzenebutanoic acid, α,2-diamino-γ-oxo-, (αS)-, sulfate (1:1)Molecular Formula
C10H12N2O3.H2O4SCite 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/ChemicalDetail.aspx?ref=16055-80-4 (retrieved ) (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)
Deleted or Replaced CAS Registry Numbers
17268-44-9
