(2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-Hydroxypropanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]Hexanoic Acid
[CAS# 121106-80-7]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-Hydroxypropanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-Hydroxy-Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-6-Amino-2-[[[(2S)-1-[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxohexyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-2-Amino-3-Hydroxy-Propanoyl]Pyrrolidin-2-Yl]Carbonylamino]Hexanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₀H₃₈N₆O₆
• Molecular Weight: 458.56
• CAS Registry Number: 121106-80-7
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](N)CO)=O)=O)CCCCN)=O)CCCCN
• InChI: 1S/C20H38N6O6/c21-9-3-1-6-14(17(28)25-15(20(31)32)7-2-4-10-22)24-18(29)16-8-5-11-26(16)19(30)13(23)12-27/h13-16,27H,1-12,21-23H2,(H,24,29)(H,25,28)(H,31,32)/t13-,14-,15-,16-/m0/s1
• InChIKey: PAHHYDSPOXDASW-VGWMRTNUSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 872.437°C at 760 mmHg (Cal.)
• Flash point: 481.433°C (Cal.)