1. Primary Information
| English name: | tert-Butyl (1-(((S)-1-((R)-3-benzyl-3-(1,2,2-trimethylhydrazinecarbonyl)piperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-2-methyl-1-oxopropan-2-yl)carbamate |
| CAS No.: | 883572-59-6 |
| Molecular formula: | C36H50N6O5 |
| Molecular weight: | 646.8 g/mol |
| SMILES: | CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 14000 | -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-[[(2S)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
4.2 InChI
InChI=1S/C36H50N6O5/c1-34(2,3)47-33(46)39-35(4,5)31(44)38-29(21-26-23-37-28-18-13-12-17-27(26)28)30(43)42-20-14-19-36(24-42,32(45)41(8)40(6)7)22-25-15-10-9-11-16-25/h9-13,15-18,23,29,37H,14,19-22,24H2,1-8H3,(H,38,44)(H,39,46)/t29-,36+/m0/s1
4.3 InChIKey
AJGGVBSVVWMZRI-RHBXAEEVSA-N
4.4 Canonical SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC(C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C
4.5 Isomeric SMILES
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C
