TL;DR: pTyr751-Val-Pro-Met-Leu (CAS 145525-99-1) is a chemical compound with molecular formula C30H48N5O10PS and molecular weight 701.28595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
Also Known As: pTyr751-Val-Pro-Met-Leu, H-Tyr(P)-Val-Pro-Met-Leu-OH, J1.175.991B, O-Phosphono-L-Tyr-L-Val-L-Pro-L-Met-L-Leu-OH, L-Leucine, O-phosphono-L-tyrosyl-L-valyl-L-prolyl-L-methionyl-
| Molecular Formula | C30H48N5O10PS |
| Molecular Weight | 701.28595 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 701.28595 Da |
| Heavy Atoms | 47 |
| Complexity | 1130.0 |
| SMILES | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)N |
| InChIKey | WDWOYRXCDMLVRA-KEOOTSPTSA-N |
The XLogP value of -2.6 indicates that pTyr751-Val-Pro-Met-Leu is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting pTyr751-Val-Pro-Met-Leu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pTyr751-Val-Pro-Met-Leu has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of pTyr751-Val-Pro-Met-Leu is 145525-99-1.
The molecular formula of pTyr751-Val-Pro-Met-Leu is C30H48N5O10PS.
The molecular weight of pTyr751-Val-Pro-Met-Leu is 701.28595 g/mol.
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