TL;DR: Triletide (CAS 63217-11-8) is a chemical compound with molecular formula C27H31N5O5 and molecular weight 505.2325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
Also Known As: Triletide, methyl n-acetyl-l-phenylalanylphenylalanyl-l-histidinate, methyl (2S)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
| Molecular Formula | C27H31N5O5 |
| Molecular Weight | 505.2325 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 505.2325 Da |
| Heavy Atoms | 37 |
| Complexity | 766.0 |
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)OC |
| InChIKey | ZHAGGRWTJXROKV-OTKIHZFJSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triletide. The TPSA of 142.0 Ų indicates high polarity, suggesting Triletide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triletide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Triletide is 63217-11-8.
The molecular formula of Triletide is C27H31N5O5.
The molecular weight of Triletide is 505.2325 g/mol.
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