1. Primary Information
| English name: | (2S,4R)-methyl 4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)pyrrolidine-2-carboxylate |
| CAS No.: | 1206524-81-3 |
| Molecular formula: | C30H39ClN4O7 |
| Molecular weight: | 603.1 g/mol |
| SMILES: | CC(C)(C)C(C(=O)N1CC(CC1C(=O)OC)OC2=NC3=C(C=CC(=C3)OC)N=C2Cl)NC(=O)OC4CC4CCCC=C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 12480 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-3,3-dimethyl-2-[[(1R,2R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
4.2 InChI
InChI=1S/C30H39ClN4O7/c1-7-8-9-10-17-13-23(17)42-29(38)34-24(30(2,3)4)27(36)35-16-19(15-22(35)28(37)40-6)41-26-25(31)32-20-12-11-18(39-5)14-21(20)33-26/h7,11-12,14,17,19,22-24H,1,8-10,13,15-16H2,2-6H3,(H,34,38)/t17-,19-,22+,23-,24-/m1/s1
4.3 InChIKey
MPVWHHNFEXCUQC-PCRSXPRCSA-N
4.4 Canonical SMILES
CC(C)(C)C(C(=O)N1CC(CC1C(=O)OC)OC2=NC3=C(C=CC(=C3)OC)N=C2Cl)NC(=O)OC4CC4CCCC=C
4.5 Isomeric SMILES
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)OC)OC2=NC3=C(C=CC(=C3)OC)N=C2Cl)NC(=O)O[C@@H]4C[C@H]4CCCC=C
