| Identification | Back Directory | [Name]
2-[(3-aMino-3-carboxy-propanoyl)aMino]butane | [CAS]
60079-22-3 | [Synonyms]
Beta-Asp-Asp
Ornithine aspartate-2
beta-Aspartylaspartate
Nmda,ornithine Impurity
Aspartic acid condensate
β-Aspartyl-Aspartic Acid
Beta-Aspartyl-Aspartic Acid
Ornithine aspartate impurity B
L-Ornithine L-Aspartate Impurity 2
2-[(3-aMino-3-carboxy-propanoyl)aMino]butane
((R)-3-amino-3-carboxypropanoyl)-L-aspartic acid
2-[(3-Amino-3-Carboxypropanoylamino]Butanedioic Acid
(S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid
ImpurityⅡ:Aspartic acid condensate(2-[(3-aMino-3-carboxy-propanoyl)aMino]butane | [Molecular Formula]
C8H12N2O7 | [MDL Number]
MFCD28134558 | [MOL File]
60079-22-3.mol | [Molecular Weight]
248.19 |
| Chemical Properties | Back Directory | [Melting point ]
152-153 °C | [Boiling point ]
594.1±50.0 °C(Predicted) | [density ]
1.602±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
2.39±0.10(Predicted) | [color ]
White to off-white | [InChI]
InChI=1/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-/s3 | [InChIKey]
KXAWLANLJYMEGB-APQYWOSTNA-N | [SMILES]
C(O)(=O)[C@H](CC(O)=O)NC(=O)C[C@@H](C(O)=O)N |&1:3,12,r| |
| Hazard Information | Back Directory | [Uses]
β-Aspartyl aspartic acid is used as a ligand in targeting SDF-1/CXCL12 with ligands that prevents activation of CXCR4 through structure-based drug design. | [Definition]
ChEBI: Beta-Aspartylaspartic acid is an aspartic acid derivative. |
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