1. Primary Information
| English name: | (tert-Butoxycarbonyl)oxycefcapene pivoxil |
| CAS No.: | 105889-80-3 |
| Molecular formula: | C28H37N5O10S2 |
| Molecular weight: | 667.8 g/mol |
| SMILES: | CCC=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | HPLC≥98% | 480 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2,2-dimethylpropanoyloxymethyl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
4.2 InChI
InChI=1S/C28H37N5O10S2/c1-8-9-15(16-12-45-25(30-16)32-26(39)43-28(5,6)7)19(34)31-17-20(35)33-18(14(10-40-24(29)38)11-44-21(17)33)22(36)41-13-42-23(37)27(2,3)4/h9,12,17,21H,8,10-11,13H2,1-7H3,(H2,29,38)(H,31,34)(H,30,32,39)/b15-9-/t17-,21-/m1/s1
4.3 InChIKey
MBCFXVZYMMCNLY-HDSFYLASSA-N
4.4 Canonical SMILES
CCC=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
4.5 Isomeric SMILES
CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C
