4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butyric acid isopropyl ester
[CAS# 139238-61-2]

Identification

• Name: 4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butyric acid isopropyl ester
• Synonyms: Isopropyl 4-Cyclohexyl-2-Hydroxy-3-[2-[[2-(1-Oxoisoindolin-2-Yl)-3-Phenyl-Propanoyl]Amino]Pentanoylamino]Butanoate; 4-Cyclohexyl-2-Hydroxy-3-[[1-Oxo-2-[[1-Oxo-2-(1-Oxo-2-Isoindolinyl)-3-Phenylpropyl]Amino]Pentyl]Amino]Butanoic Acid Isopropyl Ester; 4-Cyclohexyl-2-Hydroxy-3-[2-[[2-(1-Ketoisoindolin-2-Yl)-3-Phenyl-Propanoyl]Amino]Pentanoylamino]Butyric Acid Isopropyl Ester
• Molecular Formula: C₃₅H₄₇N₃O₆
• Molecular Weight: 605.77
• CAS Registry Number: 139238-61-2
• SMILES: C1=CC=CC=C1CC(C(NC(C(NC(C(C(=O)OC(C)C)O)CC2CCCCC2)=O)CCC)=O)N3C(C4=C(C3)C=CC=C4)=O
• InChI: 1S/C35H47N3O6/c1-4-13-28(32(40)37-29(20-24-14-7-5-8-15-24)31(39)35(43)44-23(2)3)36-33(41)30(21-25-16-9-6-10-17-25)38-22-26-18-11-12-19-27(26)34(38)42/h6,9-12,16-19,23-24,28-31,39H,4-5,7-8,13-15,20-22H2,1-3H3,(H,36,41)(H,37,40)
• InChIKey: PXIHYVZAKDAXEW-UHFFFAOYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 848.047°C at 760 mmHg (Cal.)
• Flash point: 466.682°C (Cal.)