TL;DR: Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine (CAS 158999-11-2) is a chemical compound with molecular formula C33H52N7O15PS2 and molecular weight 881.27 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid
Also Known As: Dypmdmk, Asp-tyr-pmet-asp-met-lys, Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine, (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-phosphonooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid, N2-(N-(N-(N-(N-L-alpha-aspartyl-O-phosphono-L-tyrosyl)-L-methionyl)-L-alpha-aspartyl)-L-methionyl)-L-lysine
| Molecular Formula | C33H52N7O15PS2 |
| Molecular Weight | 881.27 g/mol |
| XLogP | -7.3 |
| Topological Polar Surface Area (TPSA) | 427.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 29 |
| Exact Mass | 881.27 Da |
| Heavy Atoms | 58 |
| Complexity | 1450.0 |
| SMILES | CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OP(=O)(O)O)NC(=O)[C@H](CC(=O)O)N |
| InChIKey | VKNZVOHPRCPQGO-OOPVGHQCSA-N |
The XLogP value of -7.3 indicates that Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.0 Ų indicates high polarity, suggesting Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine is 158999-11-2.
The molecular formula of Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine is C33H52N7O15PS2.
The molecular weight of Aspartyl-tyrosyl-phosphomethionyl-aspartyl-methionyl-lysine is 881.27 g/mol.
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