TL;DR: Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide (CAS 151657-05-5) is a chemical compound with molecular formula C23H33N5O5 and molecular weight 459.24817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Also Known As: Acaapfnme, Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide, (2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide, L-Phenylalaninamide,N-acetyl-L-alanyl-L-alanyl-L-prolyl-N-methyl- (9CI), N-{(2S)-1-Hydroxy-2-[(1-hydroxyethylidene)amino]propylidene}-L-alanyl-N-[(2S)-1-hydroxy-2-(methylamino)-3-phenylpropylidene]-L-prolinamide
| Molecular Formula | C23H33N5O5 |
| Molecular Weight | 459.24817 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.24817 Da |
| Heavy Atoms | 33 |
| Complexity | 737.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC)NC(=O)C |
| InChIKey | PSQOQMIVDQOZSR-LNMJFAINSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide. Following Lipinski's Rule of Five, Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide is 151657-05-5.
The molecular formula of Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide is C23H33N5O5.
The molecular weight of Acetyl-alanyl-alanyl-prolyl-(N-methyl)phenylalaninamide is 459.24817 g/mol.
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