6-Amino-2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Amino-3-Methyl-Butanoyl)Amino]-3-(1H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Hexanoic Acid
[CAS# 62526-81-2]

Identification

• Name: 6-Amino-2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Amino-3-Methyl-Butanoyl)Amino]-3-(1H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Hydroxy-Butanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Hexanoic Acid
• Synonyms: VAL-HIS-LEU-THR-PRO-VAL-GLU-LYS
• Molecular Formula: C₄₂H₇₁N₁₁O₁₂
• Molecular Weight: 922.08
• CAS Registry Number: 62526-81-2
• SMILES: OC(=O)C(CCCCN)NC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(N)C(C)C)Cc2cncn2)C(C)O)C(C)C
• InChI: 1S/C42H71N11O12/c1-21(2)17-28(49-36(58)29(18-25-19-45-20-46-25)50-39(61)32(44)22(3)4)37(59)52-34(24(7)54)41(63)53-16-10-12-30(53)38(60)51-33(23(5)6)40(62)47-26(13-14-31(55)56)35(57)48-27(42(64)65)11-8-9-15-43/h19-24,26-30,32-34,54H,8-18,43-44H2,1-7H3,(H,45,46)(H,47,62)(H,48,57)(H,49,58)(H,50,61)(H,51,60)(H,52,59)(H,55,56)(H,64,65)
• InChIKey: FTEIMYUBKWFJIG-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 1354.638°C at 760 mmHg (Cal.)
• Flash point: 773.057°C (Cal.)