1. Primary Information
| English name: | (6R,7R)-3-(Carbamoyloxymethyl)-7-[[(Z)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N-propan-2-ylpropan-2-amine |
| CAS No.: | 153012-37-4 |
| Molecular formula: | C29H43N5O8S2 |
| Molecular weight: | 653.8 g/mol |
| SMILES: | CCC=C(C1=CSC(=N1)CC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O.CC(C)NC(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% | 280 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-thiazol-4-yl]pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N-propan-2-ylpropan-2-amine
4.2 InChI
InChI=1S/C23H28N4O8S2.C6H15N/c1-5-6-12(13-10-36-14(25-13)7-15(28)35-23(2,3)4)18(29)26-16-19(30)27-17(21(31)32)11(8-34-22(24)33)9-37-20(16)27;1-5(2)7-6(3)4/h6,10,16,20H,5,7-9H2,1-4H3,(H2,24,33)(H,26,29)(H,31,32);5-7H,1-4H3/b12-6-;/t16-,20-;/m1./s1
4.3 InChIKey
IAVQLVKSVQCUFH-SQQJSBOGSA-N
4.4 Canonical SMILES
CCC=C(C1=CSC(=N1)CC(=O)OC(C)(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O.CC(C)NC(C)C
4.5 Isomeric SMILES
CC/C=C(/C1=CSC(=N1)CC(=O)OC(C)(C)C)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O.CC(C)NC(C)C
