(S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
[CAS# 1253955-19-9]

Identification

• Name: (S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
• Molecular Formula: C₃₃H₃₅N₃O₅
• Molecular Weight: 553.65
• CAS Registry Number: 1253955-19-9
• SMILES: CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.623, Calc.^*
• Boiling Point: 780.8±60.0 °C (760 mmHg), Calc.^*
• Flash Point: 426.0±32.9 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.