Lysyl-Prolyl-Glycyl-Glutamyl-Prolyl-Glycyl-Prolyl-Lysine
[CAS# 81081-59-6]

Identification

• Name: Lysyl-Prolyl-Glycyl-Glutamyl-Prolyl-Glycyl-Prolyl-Lysine
• Synonyms: (2S)-6-Amino-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2,6-Diaminohexanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-[[2-[[[(2S)-1-[(2S)-2,6-Diamino-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxoethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2,6-Diaminohexanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Pyrrolidine-2-Carbonyl]Amino]Acetyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoic Acid
• Molecular Formula: C₃₆H₆₀N₁₀O₁₁
• Molecular Weight: 808.93
• CAS Registry Number: 81081-59-6
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)CNC(=O)[C@H]1N(C(=O)[C@@H](N)CCCCN)CCC1)CCC(=O)O)CCC2)C(=O)NCC(=O)N3[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCC3
• InChI: 1S/C36H60N10O11/c37-15-3-1-8-22(39)34(54)45-18-6-10-25(45)31(51)40-20-28(47)42-23(13-14-30(49)50)35(55)46-19-7-11-26(46)32(52)41-21-29(48)44-17-5-12-27(44)33(53)43-24(36(56)57)9-2-4-16-38/h22-27H,1-21,37-39H2,(H,40,51)(H,41,52)(H,42,47)(H,43,53)(H,49,50)(H,56,57)/t22-,23-,24-,25-,26-,27-/m0/s1
• InChIKey: ZABMJSAHPWHMNM-QCOJBMJGSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 1275.898°C at 760 mmHg (Cal.)
• Flash point: 725.437°C (Cal.)