TL;DR: Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid (CAS 129280-94-0) is a chemical compound with molecular formula C19H27N5O12 and molecular weight 517.16565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
Also Known As: Pyroglu-glu-gly-ser-asp, Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid, (2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid, 5-Oxo-L-prolyl-L-alpha-glutamylglycyl-L-seryl-L-aspartic acid, N-(N-(N-(N-(5-Oxo-L-prolyl)-L-alpha-glutamyl)glycyl)-L-seryl)-L-aspartic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H27N5O12 |
| Molecular Weight | 517.16565 g/mol |
| XLogP | -4.6 |
| Topological Polar Surface Area (TPSA) | 278.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 517.16565 Da |
| Heavy Atoms | 36 |
| Complexity | 907.0 |
| SMILES | C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| InChIKey | KHISTTPVNRGMAV-NAKRPEOUSA-N |
The XLogP value of -4.6 indicates that Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid is 129280-94-0.
The molecular formula of Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid is C19H27N5O12.
The molecular weight of Pyro-glutamyl-glutamyl-glycyl-seryl-aspartic acid is 517.16565 g/mol.
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