β-aspartylaspartic acid[β-天冬氨酰天冬氨酸]

60079-22-3

CAS Name

L-β-Aspartyl-L-aspartic acid

Molecular Formula

C₈H₁₂N₂O₇

Molecular Mass

248.19

Compound Properties

• Melting Point (1)

  152-153 °C

Source(s)

• (1) Lee, Reiko T.; Methods in Enzymology, (2003), 362, 38-43, CAplus

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