1. Primary Information
| English name: | Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone |
| CAS No.: | 187389-52-2 |
| Molecular formula: | C22H30FN3O7 |
| Molecular weight: | 467.5 g/mol |
| SMILES: | CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1 |
| Structural class: | |
| Other identifiers: |
butyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone butyloxycarbonyl-valyl-alanyl-aspartyl-O-methyl-fluoromethyl ketone z-VAD(OMe)-fmk z-Val-Ala-Asp(Ome)-fluoromethylketone z-Val-Ala-Asp(Ome)-FMK |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 400 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 1120 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoate
4.2 InChI
InChI=1S/C22H30FN3O7/c1-13(2)19(26-22(31)33-12-15-8-6-5-7-9-15)21(30)24-14(3)20(29)25-16(17(27)11-23)10-18(28)32-4/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t14-,16-,19-/m0/s1
4.3 InChIKey
MIFGOLAMNLSLGH-QOKNQOGYSA-N
4.4 Canonical SMILES
CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
4.5 Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
