Asp-Pepstatyl
[CAS# 70706-88-6]

Identification

• Name: Asp-Pepstatyl
• Synonyms: 2-[[3-Hydroxy-4-[2-[[3-Hydroxy-6-Methyl-4-[[(1S)-2-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Carbamoyl]Propyl]Amino]Heptanoyl]Amino]Propanoylamino]-6-Methyl-Heptanoyl]Amino]Butanedioic Acid; 2-[[3-Hydroxy-4-[[2-[[3-Hydroxy-6-Methyl-4-[[(1S)-2-Methyl-1-[[[(2S)-3-Methyl-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxobutyl]Amino]-Oxomethyl]Propyl]Amino]-1-Oxoheptyl]Amino]-1-Oxopropyl]Amino]-6-Methyl-1-Oxoheptyl]Amino]Butanedioic Acid; 2-[[3-Hydroxy-4-[2-[[3-Hydroxy-4-[[(1S)-1-[[(2S)-2-(Isovalerylamino)-3-Methyl-Butanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-6-Methyl-Heptanoyl]Amino]Propanoylamino]-6-Methyl-Heptanoyl]Amino]Succinic Acid
• Molecular Formula: C₃₈H₆₈N₆O₁₂
• Molecular Weight: 800.99
• CAS Registry Number: 70706-88-6
• SMILES: [C@H](C(=O)NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)(NC(C(CC(=O)NC(C(=O)NC(C(CC(=O)NC(CC(=O)O)C(=O)O)O)CC(C)C)C)O)CC(C)C)C(C)C
• InChI: 1S/C38H68N6O12/c1-18(2)12-24(41-33(21(7)8)36(53)44-37(54)34(22(9)10)43-29(47)14-20(5)6)27(45)16-30(48)39-23(11)35(52)42-25(13-19(3)4)28(46)17-31(49)40-26(38(55)56)15-32(50)51/h18-28,33-34,41,45-46H,12-17H2,1-11H3,(H,39,48)(H,40,49)(H,42,52)(H,43,47)(H,50,51)(H,55,56)(H,44,53,54)/t23?,24?,25?,26?,27?,28?,33-,34-/m0/s1
• InChIKey: BXQFWDAZXXZDKF-FNDBUPKUSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 1060.271°C at 760 mmHg (Cal.)
• Flash point: 595.031°C (Cal.)