N-Acetylleucyl-N-[4-(Methylsulfanyl)-1-Oxo-2-Butanyl]Leucinamide
[CAS# 136632-32-1]

Identification

• Name: N-Acetylleucyl-N-[4-(Methylsulfanyl)-1-Oxo-2-Butanyl]Leucinamide
• Synonyms: [136632-32-1]; 2-[(2-acetamido-4-methylpentanoyl)amino]-4-methyl-N-(4-methylsulfanyl-1-oxobutan-2-yl)pentanamide; ALLM (Calpain Inhibitor)
• Molecular Formula: C₁₉H₃₅N₃O₄S
• Molecular Weight: 401.56
• CAS Registry Number: 136632-32-1
• SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)C
• InChI: 1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)
• InChIKey: RJWLAIMXRBDUMH-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 676.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 362.9±31.5°C (Cal.)
• Refractive index: 1.496 (Cal.)
• solubility: Soluble to 10 mM in ethanol and to 100 mM in DMSO

References

• (1): Williams et al.. Novel targets for Huntington s disease in an mTOR-independent autophagy pathway, Nature Chemical Biology, 2008