TL;DR: Aspartyl-aspartyl-glutamyl-aspartic acid (CAS 123354-91-6) is a chemical compound with molecular formula C17H24N4O13 and molecular weight 492.13397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
Also Known As: Asp-asp-glu-asp, Aspartyl-aspartyl-glutamyl-aspartic acid, L-alpha-Aspartyl-L-alpha-aspartyl-L-alpha-glutamyl-L-aspartic acid, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid, L-Aspartic acid, N-(N-(N-L-alpha-aspartyl-L-alpha-aspartyl)-L-alpha-glutamyl)-
| Molecular Formula | C17H24N4O13 |
| Molecular Weight | 492.13397 g/mol |
| XLogP | -6.9 |
| Topological Polar Surface Area (TPSA) | 300.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 492.13397 Da |
| Heavy Atoms | 34 |
| Complexity | 843.0 |
| SMILES | C(CC(=O)O)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N |
| InChIKey | PQFMROVJTOPVDF-JBDRJPRFSA-N |
The XLogP value of -6.9 indicates that Aspartyl-aspartyl-glutamyl-aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 300.0 Ų indicates high polarity, suggesting Aspartyl-aspartyl-glutamyl-aspartic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspartyl-aspartyl-glutamyl-aspartic acid has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aspartyl-aspartyl-glutamyl-aspartic acid is 123354-91-6.
The molecular formula of Aspartyl-aspartyl-glutamyl-aspartic acid is C17H24N4O13.
The molecular weight of Aspartyl-aspartyl-glutamyl-aspartic acid is 492.13397 g/mol.
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