1. Primary Information
| English name: | (3S)-tert-butyl 3-((S)-2-(2-((2-(tert-butyl)phenyl)amino)-2-oxoacetamido)propanamido)-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate |
| CAS No.: | 254750-82-8 |
| Molecular formula: | C30H37F4N3O7 |
| Molecular weight: | 627.6 g/mol |
| SMILES: | CC(C(=O)NC(CC(=O)OC(C)(C)C)C(COC1=C(C(=CC(=C1F)F)F)F)O)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | 98% | 10560 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tert-butyl (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
4.2 InChI
InChI=1S/C30H37F4N3O7/c1-15(35-27(41)28(42)36-19-11-9-8-10-16(19)29(2,3)4)26(40)37-20(13-22(39)44-30(5,6)7)21(38)14-43-25-23(33)17(31)12-18(32)24(25)34/h8-12,15,20-21,38H,13-14H2,1-7H3,(H,35,41)(H,36,42)(H,37,40)/t15-,20-,21?/m0/s1
4.3 InChIKey
MNIKXVCJWUBHQR-XABNSEFBSA-N
4.4 Canonical SMILES
CC(C(=O)NC(CC(=O)OC(C)(C)C)C(COC1=C(C(=CC(=C1F)F)F)F)O)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C
4.5 Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(COC1=C(C(=CC(=C1F)F)F)F)O)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C
