Acetyl-Pepstatin
[CAS# 11076-29-2]

Identification

• Name: Acetyl-Pepstatin
• Synonyms: (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoic Acid; (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-3-Methyl-1-Oxobutyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-6-Methyl-1-Oxoheptyl]Amino]-1-Oxopropyl]Amino]-3-Hydroxy-6-Methylheptanoic Acid; (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-Acetamido-3-Methyl-Butanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-3-Hydroxy-6-Methyl-Enanthic Acid
• Molecular Formula: C₃₁H₅₇N₅O₉
• Molecular Weight: 643.82
• CAS Registry Number: 11076-29-2
• SMILES: [C@@H](NC([C@@H](NC([C@@H](NC(C)=O)C(C)C)=O)C(C)C)=O)([C@H](CC(N[C@H](C(N[C@H]([C@H](CC(O)=O)O)CC(C)C)=O)C)=O)O)CC(C)C
• InChI: 1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1
• InChIKey: WKYBEGDEGRCZNF-LBTYKNIQSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 992.787°C at 760 mmHg (Cal.)
• Flash point: 554.218°C (Cal.)