1. Primary Information
| English name: | N-[2-(tert-butylamino)-1-[1-(2-nitrophenyl)sulfonylindol-3-yl]-2-oxoethyl]-1-(2-diazo-3-oxobutanoyl)-3-methyl-N-[[1-(2-nitrophenyl)sulfonylindol-3-yl]methyl]-2-oxopiperidine-3-carboxamide |
| CAS No.: | 151513-70-1 |
| Molecular formula: | C46H43N9O13S2 |
| Molecular weight: | 994.0 g/mol |
| SMILES: | CC(=O)C(=[N+]=[N-])C(=O)N1CCCC(C1=O)(C)C(=O)N(CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7[N+](=O)[O-])C(=O)NC(C)(C)C |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | HPLC≥98% | 2240 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[2-(tert-butylamino)-1-[1-(2-nitrophenyl)sulfonylindol-3-yl]-2-oxoethyl]-1-(2-diazo-3-oxobutanoyl)-3-methyl-N-[[1-(2-nitrophenyl)sulfonylindol-3-yl]methyl]-2-oxopiperidine-3-carboxamide
4.2 InChI
InChI=1S/C46H43N9O13S2/c1-28(56)39(49-47)42(58)50-24-14-23-46(5,43(50)59)44(60)51(25-29-26-52(33-17-8-6-15-30(29)33)69(65,66)37-21-12-10-19-35(37)54(61)62)40(41(57)48-45(2,3)4)32-27-53(34-18-9-7-16-31(32)34)70(67,68)38-22-13-11-20-36(38)55(63)64/h6-13,15-22,26-27,40H,14,23-25H2,1-5H3,(H,48,57)
4.3 InChIKey
VQQNHJXHAIFTAU-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)C(=[N+]=[N-])C(=O)N1CCCC(C1=O)(C)C(=O)N(CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7[N+](=O)[O-])C(=O)NC(C)(C)C
4.5 Isomeric SMILES
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