1. Primary Information
| English name: | Taltobulin trifluoroacetate |
| CAS No.: | 228266-41-9 |
| Molecular formula: | C29H44F3N3O6 |
| Molecular weight: | 587.7 g/mol |
| SMILES: | CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 1840 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 3280 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid
4.2 InChI
InChI=1S/C27H43N3O4.C2HF3O2/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19;3-2(4,5)1(6)7/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34);(H,6,7)/b18-16+;/t20-,21-,22-;/m1./s1
4.3 InChIKey
SHWPCKJNFBDPFA-LPWSJWOVSA-N
4.4 Canonical SMILES
CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O
4.5 Isomeric SMILES
CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O
