1. Primary Information
| English name: | Ritonavir |
| CAS No.: | 155213-67-5 |
| Molecular formula: | C37H48N6O5S2 |
| Molecular weight: | 720.9 g/mol |
| SMILES: | CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O |
| Structural class: | |
| Other identifiers: |
ABT 538 ABT-538 ABT538 Norvir Ritonavir |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥99% | 160 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | ≥98% | 64 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥98% | 104 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98% | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98% | 768 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥98% | 2800 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
4.2 InChI
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
4.3 InChIKey
NCDNCNXCDXHOMX-XGKFQTDJSA-N
4.4 Canonical SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
4.5 Isomeric SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
