1. Primary Information
| English name: | Des(benzylpyridyl) Atazanavir |
| CAS No.: | 1192224-24-0 |
| Molecular formula: | C26H43N5O7 |
| Molecular weight: | 537.6 g/mol |
| SMILES: | CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNNC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 360 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 480 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1120 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 1920 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 3600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
4.2 InChI
InChI=1S/C26H43N5O7/c1-25(2,3)19(29-23(35)37-7)21(33)28-17(14-16-12-10-9-11-13-16)18(32)15-27-31-22(34)20(26(4,5)6)30-24(36)38-8/h9-13,17-20,27,32H,14-15H2,1-8H3,(H,28,33)(H,29,35)(H,30,36)(H,31,34)/t17-,18-,19+,20+/m0/s1
4.3 InChIKey
LUAXFCAWZAZCNR-VNTMZGSJSA-N
4.4 Canonical SMILES
CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNNC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
4.5 Isomeric SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNNC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC
