Glu-Pepstatyl
[CAS# 70706-87-5]

Identification

• Name: Glu-Pepstatyl
• Synonyms: (4R,6S)-4-[(2S)-2-Aminopropanoyl]Oxycarbonyl-4-[Bis(4-Amino-3-Hydroxy-6-Methyl-Heptanoyl)Amino]-7-Methyl-6-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Amino]-5-Oxo-Octanoic Acid; (4R,6S)-4-[[(2S)-2-Amino-1-Oxopropoxy]-Oxomethyl]-4-[Bis(4-Amino-3-Hydroxy-6-Methyl-1-Oxoheptyl)Amino]-7-Methyl-6-[[(2S)-3-Methyl-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxobutyl]Amino]-5-Oxooctanoic Acid; (4R,6S)-4-Alanyloxycarbonyl-4-[Bis(4-Amino-3-Hydroxy-6-Methyl-Heptanoyl)Amino]-6-[[(2S)-2-(Isovalerylamino)-3-Methyl-Butanoyl]Amino]-5-Keto-7-Methyl-Caprylic Acid
• Molecular Formula: C₃₉H₇₀N₆O₁₂
• Molecular Weight: 815.02
• CAS Registry Number: 70706-87-5
• SMILES: [C@@](C(=O)OC([C@@H](N)C)=O)(N(C(C[C@@H]([C@H](CC(C)C)N)O)=O)C(CC(C(CC(C)C)N)O)=O)(CCC(=O)O)C([C@@H](NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)C(C)C)=O
• InChI: 1S/C39H70N6O12/c1-19(2)14-25(41)27(46)17-30(49)45(31(50)18-28(47)26(42)15-20(3)4)39(13-12-32(51)52,38(56)57-37(55)24(11)40)35(53)33(22(7)8)44-36(54)34(23(9)10)43-29(48)16-21(5)6/h19-28,33-34,46-47H,12-18,40-42H2,1-11H3,(H,43,48)(H,44,54)(H,51,52)/t24-,25-,26?,27-,28?,33-,34-,39+/m0/s1
• InChIKey: NCNMAQIABHEEEJ-NBAVGXPRSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 999.771°C at 760 mmHg (Cal.)
• Flash point: 558.442°C (Cal.)