Cyclo(Alanyl-Alanyl-2-Amino-9-Decanoic Acid-Prolyl)(2)
[CAS# 115042-89-2]

Identification

• Name: Cyclo(Alanyl-Alanyl-2-Amino-9-Decanoic Acid-Prolyl)(2)
• Synonyms: Cyclo(Aaap)(2); Cyclo(Alanyl-Alanyl-2-Amino-9-Decanoic Acid-Prolyl)(2); Cyclo(L-Ala-D-Ala-L-Ada-D-Pro)(2)
• Molecular Formula: C₄₂H₆₈N₈O₈
• Molecular Weight: 813.05
• CAS Registry Number: 115042-89-2
• SMILES: C(C1NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C1=O)CCC2)C)C)CCCCCCC=C)CCC3)C)C)CCCCCC=C
• InChI: 1S/C42H68N8O8/c1-7-9-11-13-15-17-21-31-41(57)49-25-19-23-33(49)39(55)45-28(4)36(52)44-30(6)38(54)48-32(22-18-16-14-12-10-8-2)42(58)50-26-20-24-34(50)40(56)46-27(3)35(51)43-29(5)37(53)47-31/h7-8,27-34H,1-2,9-26H2,3-6H3,(H,43,51)(H,44,52)(H,45,55)(H,46,56)(H,47,53)(H,48,54)
• InChIKey: GUIXTMWWAGIILB-UHFFFAOYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 1135.139°C at 760 mmHg (Cal.)
• Flash point: 640.309°C (Cal.)