Hydroxypepstatin
[CAS# 52329-53-0]

Identification

• Name: Hydroxypepstatin
• Synonyms: (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(1S,5S)-1-Carbamoyl-2,6-Dimethyl-5-(3-Methylbutanoylamino)-4-Oxo-Heptyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoic Acid; (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(1S,5S)-1-Carbamoyl-2,6-Dimethyl-5-[(3-Methyl-1-Oxobutyl)Amino]-4-Oxoheptyl]Amino]-3-Hydroxy-6-Methyl-1-Oxoheptyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-6-Methylheptanoic Acid; (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(1S,5S)-1-Carbamoyl-5-(Isovalerylamino)-4-Keto-2,6-Dimethyl-Heptyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-6-Methyl-Enanthic Acid
• Molecular Formula: C₃₄H₆₃N₅O₁₀
• Molecular Weight: 701.90
• CAS Registry Number: 52329-53-0
• SMILES: [C@H](C(NC([C@H](CC(=O)O)O)CC(C)C)=O)(NC(C[C@@H]([C@@H](N[C@H](C(=O)N)C(CC([C@@H](NC(=O)CC(C)C)C(C)C)=O)C)CC(C)C)O)=O)CO
• InChI: 1S/C34H63N5O10/c1-17(2)10-22(37-32(33(35)48)21(9)13-27(43)31(20(7)8)39-28(44)12-19(5)6)25(41)14-29(45)36-24(16-40)34(49)38-23(11-18(3)4)26(42)15-30(46)47/h17-26,31-32,37,40-42H,10-16H2,1-9H3,(H2,35,48)(H,36,45)(H,38,49)(H,39,44)(H,46,47)/t21?,22-,23?,24-,25-,26-,31-,32-/m0/s1
• InChIKey: RDGABBULIYLDER-NWCZBACYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 1017.331°C at 760 mmHg (Cal.)
• Flash point: 569.061°C (Cal.)