N-[(1-[1,1'-Biphenyl]-4-Yl-1-Methylethoxy)Carbonyl]-L-Isoleucine
[CAS# 47553-71-9]

Identification

• Name: N-[(1-[1,1'-Biphenyl]-4-Yl-1-Methylethoxy)Carbonyl]-L-Isoleucine
• Synonyms: (2S,3S)-3-Methyl-2-[[1-Methyl-1-(4-Phenylphenyl)Ethoxy]Carbonylamino]Pentanoic Acid; (2S,3S)-3-Methyl-2-[[[1-Methyl-1-(4-Phenylphenyl)Ethoxy]-Oxomethyl]Amino]Pentanoic Acid; (2S,3S)-3-Methyl-2-[[1-Methyl-1-(4-Phenylphenyl)Ethoxy]Carbonylamino]Valeric Acid
• Molecular Formula: C₂₂H₂₇NO₄
• Molecular Weight: 369.46
• CAS Registry Number: 47553-71-9
• EINECS: 256-320-8
• SMILES: [C@@H](NC(OC(C1=CC=C(C=C1)C2=CC=CC=C2)(C)C)=O)(C(=O)O)[C@H](CC)C
• InChI: 1S/C22H27NO4/c1-5-15(2)19(20(24)25)23-21(26)27-22(3,4)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h6-15,19H,5H2,1-4H3,(H,23,26)(H,24,25)/t15-,19-/m0/s1
• InChIKey: MKKCVNJPERCQBR-KXBFYZLASA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 542.697°C at 760 mmHg (Cal.)
• Flash point: 282.013°C (Cal.)