L-β-Aspartyl-L-aspartic acid

CAS Registry Number®

60079-22-3
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CAS Name

L-β-Aspartyl-L-aspartic acid

Molecular Formula

C8H12N2O7

Molecular Mass

248.19

Cite this Page

L-β-Aspartyl-L-aspartic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60079-22-3 (retrieved 2024-09-10) (CAS RN: 60079-22-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152-153 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4-/m0/s1

InChIKey

InChIKey=KXAWLANLJYMEGB-IMJSIDKUSA-N

SMILES

[C@H](NC(C[C@@H](C(O)=O)N)=O)(CC(O)=O)C(O)=O

Canonical SMILES

O=C(O)CC(NC(=O)CC(N)C(=O)O)C(=O)O

Other Names for this Substance

  • L-Aspartic acid, L-β-aspartyl-
  • L-Aspartic acid, N-L-β-aspartyl-
  • L-β-Aspartyl-L-aspartic acid
  • β-Aspartyl aspartic acid
  • NSC 120024