TL;DR: Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine (CAS 105760-58-5) is a chemical compound with molecular formula C28H41N7O9 and molecular weight 619.2966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoic acid
Also Known As: Vypnga, Val-tyr-pro-asn-gly-ala, Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine, L-Val-L-Tyr-L-Pro-L-Asn-Gly-L-Ala, (2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]acetyl]amino]propanoic acid
| Molecular Formula | C28H41N7O9 |
| Molecular Weight | 619.2966 g/mol |
| XLogP | -4.0 |
| Topological Polar Surface Area (TPSA) | 263.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 619.2966 Da |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)N |
| InChIKey | DERJZRCOKJPFBB-GJLLLRFJSA-N |
The XLogP value of -4.0 indicates that Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine is 105760-58-5.
The molecular formula of Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine is C28H41N7O9.
The molecular weight of Valyl-tyrosyl-prolyl-asparaginyl-glycyl-alanine is 619.2966 g/mol.
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