1. Primary Information
| English name: | Carfilzomib-d8 |
| CAS No.: | 1537187-53-3 |
| Molecular formula: | C40H57N5O7 |
| Molecular weight: | 728.0 g/mol |
| SMILES: | CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | CP:95%;98%atom | 5760 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)acetyl]amino]-4-phenylbutanoyl]amino]pentanamide
4.2 InChI
InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1/i18D2,19D2,20D2,21D2
4.3 InChIKey
BLMPQMFVWMYDKT-HEMZLDBQSA-N
4.4 Canonical SMILES
CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4
4.5 Isomeric SMILES
[2H]C1(C(OC(C(N1CC(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)[C@]4(CO4)C)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
