Anodyne| Pepstatin | |
|---|---|
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Conformer structure via JSmol | |
| Physical properties [] | |
|---|---|
| Molecular mass | 685.9 g/mol [1] |
| Predicted LogP | 3 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C34H63N5O9 [1] |
| IUPAC name | (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid [1] |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O [1] |
| 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 [1] |
| InChIKey | FAXGPCHRFPCXOO-LXTPJMTPSA-N [1] |
Pepstatin
Pepstatin (also known as Pepstatin A, Pepstatine, Pepstatina, Ahpatinin C, Pepstatinum, Procidin S 735A, Pepsin inhibitor S 735A, N-Isovaleryl-L-valyl-L-valyl-3-hydroxy-6-methyl-γ-aminoheptanoyl-L-alanyl-3-hydroxy-6-methyl-γ-aminoheptanoic acid, (3S,4S)-3-hydroxy-4-(((2S)-2-(((3S,4S)-3-hydroxy-6-methyl-4-(((2S)-3-methyl-2-(((2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl)amino)butanoyl)amino)heptanoyl)amino)propanoyl)amino)-6-methylheptanoic acid or 247-600-0) is a
Chemistry
Stereochemistry []
Pepstatin is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 5478883, Pepstatin. Accessed July 21, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/5478883