L-Val-4-(4Alpha-Amino-2,5-Cyclohexadien-1Beta-Yl)-L-Abu-L-Gln-OH
[CAS# 96717-71-4]

Identification

• Name: L-Val-4-(4Alpha-Amino-2,5-Cyclohexadien-1Beta-Yl)-L-Abu-L-Gln-OH
• Synonyms: (2S)-5-Amino-2-[[(2S)-4-(4-Amino-1-Cyclohexa-2,5-Dienyl)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]Butanoyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-5-Amino-2-[[(2S)-4-(4-Amino-1-Cyclohexa-2,5-Dienyl)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-1-Oxobutyl]Amino]-5
• Molecular Formula: C₂₀H₃₃N₅O₅
• Molecular Weight: 423.51
• CAS Registry Number: 96717-71-4
• SMILES: [C@H](C(N[C@H](C(=O)O)CCC(=O)N)=O)(NC([C@@H](N)C(C)C)=O)CCC1C=CC(N)C=C1
• InChI: 1S/C20H33N5O5/c1-11(2)17(23)19(28)24-14(8-5-12-3-6-13(21)7-4-12)18(27)25-15(20(29)30)9-10-16(22)26/h3-4,6-7,11-15,17H,5,8-10,21,23H2,1-2H3,(H2,22,26)(H,24,28)(H,25,27)(H,29,30)/t12?,13?,14-,15-,17-/m0/s1
• InChIKey: WCHFUOSFNPNBCN-ASIQFLCUSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 795.195°C at 760 mmHg (Cal.)
• Flash point: 434.718°C (Cal.)