N2-[1-[N2-[N2-(N-L-Valyl-L-alanyl)-L-lysyl]-L-lysyl]-L-prolyl]-L-Lysine
[CAS# 137132-73-1]

Identification

• Name: N2-[1-[N2-[N2-(N-L-Valyl-L-alanyl)-L-lysyl]-L-lysyl]-L-prolyl]-L-Lysine
• Synonyms: (2S)-6-Amino-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]Hexanoyl]Amino]Hexanoyl]Pyrrolidin-2-Yl]Carbonylamino]Hexanoic Acid
• Molecular Formula: C₃₁H₅₉N₉O₇
• Molecular Weight: 669.86
• CAS Registry Number: 137132-73-1
• SMILES: [C@H](C(=O)O)(NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)C)=O)CCCCN)=O)CCCCN)=O)=O)CCCCN
• InChI: 1S/C31H59N9O7/c1-19(2)25(35)29(44)36-20(3)26(41)37-21(11-4-7-15-32)27(42)38-22(12-5-8-16-33)30(45)40-18-10-14-24(40)28(43)39-23(31(46)47)13-6-9-17-34/h19-25H,4-18,32-35H2,1-3H3,(H,36,44)(H,37,41)(H,38,42)(H,39,43)(H,46,47)/t20-,21-,22-,23-,24-,25-/m0/s1
• InChIKey: JBTSEHVEYVZLQD-OOPVGHQCSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 1037.103°C at 760 mmHg (Cal.)
• Flash point: 581.019°C (Cal.)