4-[(3,4-Difluorobenzoyl)Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid
[CAS# 111106-23-1]

Identification

• Name: 4-[(3,4-Difluorobenzoyl)Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid
• Synonyms: 4-[(3,4-Difluorobenzoyl)Amino]-5-(3-Methoxypropyl-Pentyl-Amino)-5-Oxo-Pentanoic Acid; 4-[[(3,4-Difluorophenyl)-Oxomethyl]Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid; 5-(Amyl-(3-Methoxypropyl)Amino)-4-[(3,4-Difluorobenzoyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₁H₃₀F₂N₂O₅
• Molecular Weight: 428.48
• CAS Registry Number: 111106-23-1
• SMILES: C1=C(C(=CC=C1C(NC(CCC(=O)O)C(=O)N(CCCCC)CCCOC)=O)F)F
• InChI: 1S/C21H30F2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
• InChIKey: VSGDJDOYVKBTLL-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 592.067°C at 760 mmHg (Cal.)
• Flash point: 311.871°C (Cal.)