TL;DR: N-Acetyl-Leu-Val-Phe-al (CAS 160369-84-6) is a chemical compound with molecular formula C22H33N3O4 and molecular weight 403.2471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-acetamido-4-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]pentanamide
Also Known As: N-Acetyl-Leu-Val-Phe-al, N-ACETYL-LEU-VAL-PHENYLALANINAL, J1.048.110D, N-1395, 369A846
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H33N3O4 |
| Molecular Weight | 403.2471 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 403.2471 Da |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C=O)NC(=O)C |
| InChIKey | AWIJCYLMKAQLHO-UFYCRDLUSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-Leu-Val-Phe-al. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-Leu-Val-Phe-al. Following Lipinski's Rule of Five, N-Acetyl-Leu-Val-Phe-al has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Acetyl-Leu-Val-Phe-al is 160369-84-6.
The molecular formula of N-Acetyl-Leu-Val-Phe-al is C22H33N3O4.
The molecular weight of N-Acetyl-Leu-Val-Phe-al is 403.2471 g/mol.
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