L-Ile-4-(4-Amino-2,5-Cyclohexadien-1-Yl)-L-Abu-OH
[CAS# 96717-73-6]

Identification

• Name: L-Ile-4-(4-Amino-2,5-Cyclohexadien-1-Yl)-L-Abu-OH
• Synonyms: (2S)-4-(4-Amino-1-Cyclohexa-2,5-Dienyl)-2-[[(2S,3S)-2-Amino-3-Methyl-Pentanoyl]Amino]Butanoic Acid; (2S)-4-(4-Amino-1-Cyclohexa-2,5-Dienyl)-2-[[(2S,3S)-2-Amino-3-Methyl-1-Oxopentyl]Amino]Butanoic Acid; (2S)-4-(4-Amino-1-Cyclohexa-2,5-Dienyl)-2-[[(2S,3S)-2-A
• Molecular Formula: C₁₆H₂₇N₃O₃
• Molecular Weight: 309.41
• CAS Registry Number: 96717-73-6
• SMILES: [C@H](C(=O)O)(NC([C@@H](N)[C@H](CC)C)=O)CCC1C=CC(C=C1)N
• InChI: 1S/C16H27N3O3/c1-3-10(2)14(18)15(20)19-13(16(21)22)9-6-11-4-7-12(17)8-5-11/h4-5,7-8,10-14H,3,6,9,17-18H2,1-2H3,(H,19,20)(H,21,22)/t10-,11?,12?,13-,14-/m0/s1
• InChIKey: AFBIDHYBVNNJGJ-ASUPZPJHSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 536.24°C at 760 mmHg (Cal.)
• Flash point: 278.108°C (Cal.)