1-(N-(N-Acetylisoleucyl)-Tyrosyl)Amino-2-(4-Hydroxyphenyl)Ethylphosphonic Acid
[CAS# 91796-92-8]

Identification

• Name: 1-(N-(N-Acetylisoleucyl)-Tyrosyl)Amino-2-(4-Hydroxyphenyl)Ethylphosphonic Acid
• Synonyms: 2-Acetamido-N-[2-[[1-Diethoxyphosphoryl-2-(4-Hydroxyphenyl)Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]-3-Methyl-Pentanamide; 2-Acetamido-N-[2-[[1-Diethoxyphosphoryl-2-(4-Hydroxyphenyl)Ethyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]-3-Methylp
• Molecular Formula: C₂₉H₄₂N₃O₈P
• Molecular Weight: 591.64
• CAS Registry Number: 91796-92-8
• SMILES: C2=C(CC([P](OCC)(OCC)=O)NC(=O)C(NC(=O)C(NC(=O)C)C(CC)C)CC1=CC=C(O)C=C1)C=CC(=C2)O
• InChI: 1S/C29H42N3O8P/c1-6-19(4)27(30-20(5)33)29(37)31-25(17-21-9-13-23(34)14-10-21)28(36)32-26(41(38,39-7-2)40-8-3)18-22-11-15-24(35)16-12-22/h9-16,19,25-27,34-35H,6-8,17-18H2,1-5H3,(H,30,33)(H,31,37)(H,32,36)
• InChIKey: SKCDLPJYICQYCM-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 904.242°C at 760 mmHg (Cal.)
• Flash point: 500.667°C (Cal.)