(S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid
TL;DR: (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid (CAS 147837-52-3) is a chemical compound with molecular formula C14H23N3O6 and molecular weight 329.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Also Known As: Caspase Inhibitor II, N-Acetyl-Val-Ala-Asp-al, (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid, HY-W011254, N-Acetyl-Val-Ala-Asp-al (AC-VAD-CHO)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H23N3O6 |
| Molecular Weight | 329.1587 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 329.1587 Da |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C |
| InChIKey | BGFYQRSQECIBIB-PEXQALLHSA-N |
Chemical Property Profile of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid
Property Insights of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid
The XLogP value of -1.7 indicates that (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid?
The CAS number of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid is 147837-52-3.
What is the molecular formula of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid?
The molecular formula of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid is C14H23N3O6.
What is the molecular weight of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid?
The molecular weight of (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid is 329.1587 g/mol.
Where can I buy (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid?
You can request a quote for (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-3-((S)-2-((S)-2-Acetamido-3-methylbutanamido)propanamido)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.