2-[[3-(4-Hydroxyphenyl)-2-(3-Methylbutanoylamino)Propanoyl]Amino]-N-[1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
[CAS# 121024-51-9]

Identification

• Name: 2-[[3-(4-Hydroxyphenyl)-2-(3-Methylbutanoylamino)Propanoyl]Amino]-N-[1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
• Synonyms: N-[1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-2-[[3-(4-Hydroxyphenyl)-2-(3-Methylbutanoylamino)Propanoyl]Amino]-4-Methyl-Pentanamide; N-[1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-2-[[3-(4-Hydroxyphenyl)-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxopropyl]Amino]-4-Methylpentanamide; N-[1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-2-[[3-(4-Hydroxyphenyl)-2-(Isovalerylamino)Propanoyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₂₉H₃₉N₃O₆
• Molecular Weight: 525.64
• CAS Registry Number: 121024-51-9
• SMILES: C1=CC(=CC=C1CC(C(NC(C(NC(C=O)CC2=CC=C(O)C=C2)=O)CC(C)C)=O)NC(=O)CC(C)C)O
• InChI: 1S/C29H39N3O6/c1-18(2)13-25(28(37)30-22(17-33)15-20-5-9-23(34)10-6-20)32-29(38)26(31-27(36)14-19(3)4)16-21-7-11-24(35)12-8-21/h5-12,17-19,22,25-26,34-35H,13-16H2,1-4H3,(H,30,37)(H,31,36)(H,32,38)
• InChIKey: FWNXEHQYIWGYHB-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 853.496°C at 760 mmHg (Cal.)
• Flash point: 469.978°C (Cal.)