Cyclo(Glutamyl-Leucyl-Prolyl-Glycyl-Lysyl-Leucyl-Prolyl-Glycyl)Cyclo(1-gamma-5-epsilon)Glycine
[CAS# 106372-74-1]

Identification

• Name: Cyclo(Glutamyl-Leucyl-Prolyl-Glycyl-Lysyl-Leucyl-Prolyl-Glycyl)Cyclo(1-gamma-5-epsilon)Glycine
• Synonyms: (4S)-4-[(2-Aminoacetyl)Amino]-5-[[(1S)-1-[2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-Amino-6-(2-Aminoethylamino)Hexanoyl]Amino]-4-Methyl-Pentanoyl]-2-Formyl-5H-Pyrrol-2-Yl]-2-Oxo-Ethyl]Carbamoyl]Pyrrole-1-Carbonyl]-3-Methyl-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-5-[[(1S)-1-[[2-[[[2-[(2S)-1-[(2S)-2-[[(2S)-2-Amino-6-(2-Aminoethylamino)-1-Oxohexyl]Amino]-4-Methyl-1-Oxopentyl]-2-Formyl-5H-Pyrrol-2-Yl]-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolyl]-Oxomethyl]-3-Methylbutyl]Amino]-4-[(2-Amino-1-Oxoethyl)Amino]-5-Oxopentanoic Acid; (4S)-5-[[(1S)-1-[2-[[2-[(2S)-1-[(2S)-2-[[(2S)-2-Amino-6-(2-Aminoethylamino)Hexanoyl]Amino]-4-Methyl-Pentanoyl]-2-Formyl-3-Pyrrolin-2-Yl]-2-Keto-Ethyl]Carbamoyl]Pyrrole-1-Carbonyl]-3-Methyl-Butyl]Amino]-4-(Glycylamino)-5-Keto-Valeric Acid
• Molecular Formula: C₃₉H₆₂N₁₀O₁₀
• Molecular Weight: 830.98
• CAS Registry Number: 106372-74-1
• SMILES: [C@@]1(C=O)(N(CC=C1)C([C@@H](NC([C@@H](N)CCCCNCCN)=O)CC(C)C)=O)C(CNC(C2=CC=C[N]2C([C@@H](NC([C@@H](NC(CN)=O)CCC(=O)O)=O)CC(C)C)=O)=O)=O
• InChI: 1S/C39H62N10O10/c1-24(2)19-28(47-35(56)27(11-12-33(53)54)45-32(52)21-41)37(58)48-17-7-10-30(48)36(57)44-22-31(51)39(23-50)13-8-18-49(39)38(59)29(20-25(3)4)46-34(55)26(42)9-5-6-15-43-16-14-40/h7-8,10,13,17,23-29,43H,5-6,9,11-12,14-16,18-22,40-42H2,1-4H3,(H,44,57)(H,45,52)(H,46,55)(H,47,56)(H,53,54)/t26-,27-,28-,29-,39-/m0/s1
• InChIKey: GVAIGECYQGPQCB-KENYIHBBSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 1163.066°C at 760 mmHg (Cal.)
• Flash point: 657.199°C (Cal.)