1. Primary Information
| English name: | Pepstatin |
| CAS No.: | 26305-03-3 |
| Molecular formula: | C34H63N5O9 |
| Molecular weight: | 685.9 g/mol |
| 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 |
| Structural class: | |
| Other identifiers: |
ahpatinin C pepstatin pepstatin A |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 75% | 112 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 75% | 224 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 75% | 864 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 90%（HPLC） | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 90%（HPLC） | 680 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 90%（HPLC） | 1520 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 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
4.2 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
4.3 InChIKey
FAXGPCHRFPCXOO-LXTPJMTPSA-N
4.4 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
4.5 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@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O
