1. Primary Information
| English name: | Inorganic Pyrophosphatase |
| CAS No.: | 9024-82-2 |
| Molecular formula: | C57H52Cl2F2N14O7 |
| Molecular weight: | 1154.0 g/mol |
| SMILES: | CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)C.CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)OC(C)(C)C |
| Structural class: | |
| Other identifiers: |
H(+)-PPase H+ Pyrophosphatase H+-Pyrophosphatase Inorganic Pyrophosphatase Inorganic Pyrophosphatase, Proton-Pumping |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100U | BR，500u/mg ptotein | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 500U | BR，500u/mg ptotein | 4320 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-[4-[2-(4-acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;tert-butyl 4-[2-[5-[3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-yl]-2-oxoethyl]benzoate
4.2 InChI
InChI=1S/C30H29ClFN7O4.C27H23ClFN7O3/c1-17-26-22(35-34-17)13-14-38(25(41)12-9-20-23(39-16-33-36-37-39)11-10-21(31)27(20)32)28(26)24(40)15-18-5-7-19(8-6-18)29(42)43-30(2,3)4;1-15-25-21(32-31-15)11-12-35(27(25)23(38)13-17-3-5-18(6-4-17)16(2)37)24(39)10-7-19-22(36-14-30-33-34-36)9-8-20(28)26(19)29/h5-12,16,28H,13-15H2,1-4H3,(H,34,35);3-10,14,27H,11-13H2,1-2H3,(H,31,32)
4.3 InChIKey
TUGFVLCKLUCRKF-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)C.CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)OC(C)(C)C
4.5 Isomeric SMILES
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