1. Primary Information
| English name: | 1-Amino-4,5-bis(methylamino)pent-1-en-3-one;1-amino-4-(methylamino)-5-methylsulfanylpent-1-en-3-one;1-amino-4-(methylamino)-5-(pyridin-2-yldisulfanyl)pent-1-en-3-one;methyl 6-amino-3-(methylamino)-4-oxohex-5-enoate;methyl 2-[5-amino-2-(methylamino)-3-oxopent-4-enyl]sulfanylacetate |
| CAS No.: | 9028-67-5 |
| Molecular formula: | C42H74N12O9S4 |
| Molecular weight: | 1019.4 g/mol |
| SMILES: | CNCC(C(=O)C=CN)NC.CNC(CC(=O)OC)C(=O)C=CN.CNC(CSC)C(=O)C=CN.CNC(CSCC(=O)OC)C(=O)C=CN.CNC(CSSC1=CC=CC=N1)C(=O)C=CN |
| Structural class: | |
| Other identifiers: |
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2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50U | BR，≥15 units/mg solid | 598 | -20℃ | in stock | - |
| Kehua Intelligence | 100U | BR，≥15 units/mg solid | 1078 | -20℃ | in stock | - |
| Kehua Intelligence | 120U | BR，≥15 units/mg solid | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 500U | BR，≥15 units/mg solid | 3190 | -20℃ | in stock | - |
| Kehua Intelligence | 1KU | BR，≥15 units/mg solid | 4790 | -20℃ | in stock | - |
| Kehua Intelligence | 100U | ≥10 units/mg solid | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 50U | BR，≥10 units/mg solid | 598 | -20℃ | in stock | - |
| Kehua Intelligence | 100U | BR，≥10 units/mg solid | 1078 | -20℃ | in stock | - |
| Kehua Intelligence | 120U | BR，≥10 units/mg solid | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 500u | BR，≥10 units/mg solid | 3190 | -20℃ | in stock | - |
| Kehua Intelligence | 1ku | BR，≥10 units/mg solid | 4790 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
1-amino-4,5-bis(methylamino)pent-1-en-3-one;1-amino-4-(methylamino)-5-methylsulfanylpent-1-en-3-one;1-amino-4-(methylamino)-5-(pyridin-2-yldisulfanyl)pent-1-en-3-one;methyl 6-amino-3-(methylamino)-4-oxohex-5-enoate;methyl 2-[5-amino-2-(methylamino)-3-oxopent-4-enyl]sulfanylacetate
4.2 InChI
InChI=1S/C11H15N3OS2.C9H16N2O3S.C8H14N2O3.C7H15N3O.C7H14N2OS/c1-13-9(10(15)5-6-12)8-16-17-11-4-2-3-7-14-11;1-11-7(8(12)3-4-10)5-15-6-9(13)14-2;1-10-6(5-8(12)13-2)7(11)3-4-9;1-9-5-6(10-2)7(11)3-4-8;1-9-6(5-11-2)7(10)3-4-8/h2-7,9,13H,8,12H2,1H3;3-4,7,11H,5-6,10H2,1-2H3;3-4,6,10H,5,9H2,1-2H3;3-4,6,9-10H,5,8H2,1-2H3;3-4,6,9H,5,8H2,1-2H3
4.3 InChIKey
XOUJHUSVMZWJBZ-UHFFFAOYSA-N
4.4 Canonical SMILES
CNCC(C(=O)C=CN)NC.CNC(CC(=O)OC)C(=O)C=CN.CNC(CSC)C(=O)C=CN.CNC(CSCC(=O)OC)C(=O)C=CN.CNC(CSSC1=CC=CC=N1)C(=O)C=CN
4.5 Isomeric SMILES
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