2-Methyl-2-propanyl [(2S)-6-acetamido-1-oxo-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]amino}-2-hexanyl]carbamate
[CAS# 787549-23-9]

Identification

• Name: 2-Methyl-2-propanyl [(2S)-6-acetamido-1-oxo-1-{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]amino}-2-hexanyl]carbamate
• Synonyms: (S)-[5-Acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester; [(S)-5-Acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester
• Molecular Formula: C₂₃H₂₈F₃N₃O₆
• Molecular Weight: 499.48
• CAS Registry Number: 787549-23-9
• SMILES: CC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OC(C)(C)C
• InChI: 1S/C23H28F3N3O6/c1-13(30)27-10-6-5-7-17(29-21(33)35-22(2,3)4)20(32)28-14-8-9-15-16(23(24,25)26)12-19(31)34-18(15)11-14/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,27,30)(H,28,32)(H,29,33)/t17-/m0/s1
• InChIKey: NVKNRJCOVHAZDK-KRWDZBQOSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 693.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 373.3±31.5°C (Cal.)
• Refractive index: 1.535 (Cal.)