TL;DR: Exorphin A5 (CAS 16789-56-3) is a chemical compound with molecular formula C29H37N5O9 and molecular weight 599.25916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
Also Known As: Gluten Exorphin A5, Exorphin A5, Gly-tyr-tyr-pro-thr, GYYPT, Glycyl-tyrosyl-tyrosyl-prolyl-threonine
| Molecular Formula | C29H37N5O9 |
| Molecular Weight | 599.25916 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 232.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 599.25916 Da |
| Heavy Atoms | 43 |
| Complexity | 981.0 |
| SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CN)O |
| InChIKey | SBTRTGWXCQVLKM-VHEHYOFYSA-N |
The XLogP value of -2.3 indicates that Exorphin A5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting Exorphin A5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Exorphin A5 has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Exorphin A5 is 16789-56-3.
The molecular formula of Exorphin A5 is C29H37N5O9.
The molecular weight of Exorphin A5 is 599.25916 g/mol.
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