Basic information
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Chemistry
Product Name: Pepstatin (CAS NO.26368-29-6)
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Molecular Formula: C34H63N5O9
Molecular Weight: 685.8921g/mol
Mol File: 26368-29-6.mol
Boiling point: 997.6 °C at 760 mmHg
Flash Point: 557.1 °C
Surface Tension: 43.2 dyne/cm
Enthalpy of Vaporization: 164.89 kJ/mol
XLogP3-AA: 3
H-Bond Donor: 8
H-Bond Acceptor: 9
Canonical SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C
(C)C)NC(=O)CC(C)C)O
Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H](C(CC(C)C)NC(=
O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
InChI: InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)
8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26
(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,
37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23?,24-,25-,26-,30?,31?/m0/s1
InChIKey: FAXGPCHRFPCXOO-BOPRIZCGSA-N
Uses
Pepstatin (CAS NO.26368-29-6) is a potent inhibitor of aspartyl proteases. It is a hexa-peptide containing the unusual amino acid statine (Sta, (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid), having the sequence Iva-Val-Val-Sta-Ala-Sta. It was originally isolated from cultures of various species of Actinomyces due to its ability to inhibit pepsin at picomolar concentrations. It was later found to inhibit nearly all acid proteases with high potency and, as such, has become a valuable research tool, as well as a common constituent of protease inhibitor cocktails.
Specification
Pepstatin ,its CAS NO. is 26368-29-6,the synonyms is Heptanoic acid, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-3-hydroxy-6-methyl-4-aminoheptanoyl-L-alanyl-(3S,4S)-3-hydroxy-6-methyl-4-amino- ; N-(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl-4-amino-3-hydroxy-6-methylheptanoic acid ; N-Isovaleryl-L-valyl-L-valyl-3-hydroxy-6-methyl-gamma-aminoheptanoyl-L-alanyl-3-hydroxy-6-methyl-gamma-aminoheptanoic acid ; Ahpatinin C ; Pepstatinum .

