TL;DR: Lysyl-tyrosyl-serine acetate (CAS 131400-71-0) is a chemical compound with molecular formula C22H36N4O10 and molecular weight 516.24316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
Also Known As: Lys-tyr-ser-Ac, Lysyl-tyrosyl-serine acetate, Cyclopentylphenylharnstoff, L-Serine, N-(N-L-lysyl-L-tyrosyl)-, diacetate (salt), acetic acid;(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid
| Molecular Formula | C22H36N4O10 |
| Molecular Weight | 516.24316 g/mol |
| XLogP | -1.3807 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 516.24316 Da |
| Heavy Atoms | 36 |
| Complexity | 541.0 |
| SMILES | CC(=O)O.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)N)O |
| InChIKey | GGHXUBMAQXMCGT-VZXRKJOKSA-N |
The XLogP value of -1.3807 indicates that Lysyl-tyrosyl-serine acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting Lysyl-tyrosyl-serine acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lysyl-tyrosyl-serine acetate has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Lysyl-tyrosyl-serine acetate is 131400-71-0.
The molecular formula of Lysyl-tyrosyl-serine acetate is C22H36N4O10.
The molecular weight of Lysyl-tyrosyl-serine acetate is 516.24316 g/mol.
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