1. Primary Information
| English name: | Bis(2-methyl-2-propanyl)(1-{(3aS,4R,6aR)-2,2-dimethyl-6-[(trityloxy)methyl]-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}-1H-imidazo[4,5-c]pyridin-4-yl)imidodicarbonate |
| CAS No.: | 1207561-02-1 |
| Molecular formula: | C44H48N4O7 |
| Molecular weight: | 744.9 g/mol |
| SMILES: | CC1(OC2C(C=C(C2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=NC7=C6C=CN=C7N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 98% | 3600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tert-butyl N-[1-[(3aR,6R,6aS)-2,2-dimethyl-4-(trityloxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]imidazo[4,5-c]pyridin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
4.2 InChI
InChI=1S/C44H48N4O7/c1-41(2,3)54-39(49)48(40(50)55-42(4,5)6)38-35-33(24-25-45-38)47(28-46-35)34-26-29(36-37(34)53-43(7,8)52-36)27-51-44(30-18-12-9-13-19-30,31-20-14-10-15-21-31)32-22-16-11-17-23-32/h9-26,28,34,36-37H,27H2,1-8H3/t34-,36-,37+/m1/s1
4.3 InChIKey
ITMFPYAHUUMTFJ-XBWIZHKTSA-N
4.4 Canonical SMILES
CC1(OC2C(C=C(C2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=NC7=C6C=CN=C7N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C
4.5 Isomeric SMILES
CC1(O[C@H]2[C@@H](C=C([C@H]2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=NC7=C6C=CN=C7N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C
