(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid
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(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid

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A metabolite of Aspartame

Category
Others
Catalog number
BAT-010119
CAS number
5262-10-2
Molecular Formula
C13H14N2O4
Molecular Weight
262.26
(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid
IUPAC Name
2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid
Synonyms
Cyclo(aspartyl-phenylalanyl); (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid; (2S-cis)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid; (2S,5S)-5-Benzyl-3,6-dioxo-2-piperazineacetic Acid
Appearance
White to Off-white Solid
Purity
≥97% by HPLC
Density
1.298 g/cm3
Melting Point
270-272°C(lit.)
Boiling Point
667.4°C at 760 mmHg
Storage
Store at -20°C
Solubility
Soluble in Acetic Acid, DMSO, Methanol
InChI
InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChI Key
VNHJXYUDIBQDDX-UWVGGRQHSA-N
Canonical SMILES
C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC(=O)O
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