1. Primary Information
| English name: | Protac linker 5 |
| CAS No.: | 2245697-83-8 |
| Molecular formula: | C27H40ClN5O4S |
| Molecular weight: | 566.2 g/mol |
| SMILES: | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCN)O.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | 95% | 640 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 95% | 1440 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 95% | 2560 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,4R)-1-[(2S)-2-(5-aminopentanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
4.2 InChI
InChI=1S/C27H39N5O4S.ClH/c1-17-23(37-16-30-17)19-10-8-18(9-11-19)14-29-25(35)21-13-20(33)15-32(21)26(36)24(27(2,3)4)31-22(34)7-5-6-12-28;/h8-11,16,20-21,24,33H,5-7,12-15,28H2,1-4H3,(H,29,35)(H,31,34);1H/t20-,21+,24-;/m1./s1
4.3 InChIKey
HJICCZROGLAHNB-BIBCNAKVSA-N
4.4 Canonical SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCN)O.Cl
4.5 Isomeric SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCN)O.Cl
