1. Primary Information
| English name: | Benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate;hexadecylazanium;[6-[[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3,6-dioxohexan-2-yl]azanium;[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]azanium;4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;bromide;diformate |
| CAS No.: | 9023-99-8 |
| Molecular formula: | C154H229BRN8O29 |
| Molecular weight: | 2736.4 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)CC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)[NH3+].CC(C)(C)OC1=CC=C(C=C1)CC2C(=O)OC(=O)N2.C1=CC=C(C=C1)COC(=O)CCC2C(=O)OC(=O)N2.C(=O)[O-].C(=O)[O-].[Br-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 200u | ≥ 5U/mg protein | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 500U | ≥ 5U/mg protein | 1600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate;hexadecylazanium;[6-[[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3,6-dioxohexan-2-yl]azanium;[7-(hexadecylcarbamoyl)-1,5,10-trioxo-1,10-bis(phenylmethoxy)decan-4-yl]azanium;4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidine-2,5-dione;bromide;diformate
4.2 InChI
InChI=1S/C68H97N3O10.C41H62N2O6.C16H35N.C14H17NO4.C13H13NO5.2CH2O2.BrH/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-27-44-70-65(76)55(36-42-63(74)78-49-53-28-23-21-24-29-53)47-62(73)60(41-43-64(75)79-50-54-30-25-22-26-31-54)71-66(77)56(45-51-32-37-57(38-33-51)80-67(2,3)4)48-61(72)59(69)46-52-34-39-58(40-35-52)81-68(5,6)7;1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-30-43-41(47)36(26-28-39(45)48-32-34-22-17-15-18-23-34)31-38(44)37(42)27-29-40(46)49-33-35-24-19-16-20-25-35;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-14(2,3)19-10-6-4-9(5-7-10)8-11-12(16)18-13(17)15-11;15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10;2*2-1-3;/h21-26,28-35,37-40,55-56,59-60H,8-20,27,36,41-50,69H2,1-7H3,(H,70,76)(H,71,77);15-20,22-25,36-37H,2-14,21,26-33,42H2,1H3,(H,43,47);2-17H2,1H3;4-7,11H,8H2,1-3H3,(H,15,17);1-5,10H,6-8H2,(H,14,17);2*1H,(H,2,3);1H
4.3 InChIKey
VEZSZKPFZDBDEX-UHFFFAOYSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)[NH3+].CCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)CC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)CC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)[NH3+].CC(C)(C)OC1=CC=C(C=C1)CC2C(=O)OC(=O)N2.C1=CC=C(C=C1)COC(=O)CCC2C(=O)OC(=O)N2.C(=O)[O-].C(=O)[O-].[Br-]
4.5 Isomeric SMILES
-
