TXZ
Summary
| Name: | O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine |
| Formula: | C10 H20 N O7 P S |
| Formal charge: | 0 |
| Formula weight: | 329.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine |
| OpenEye OEToolkits | 1.7.0 | (2S,3R)-3-phosphonooxy-2-(6-sulfanylhexanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCCS |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCS)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H20NO7PS/c1-7(18-19(15,16)17)9(10(13)14)11-8(12)5-3-2-4-6-20/h7,9,20H,2-6H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)/t7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | PRNNQVAYHYUTOD-APPZFPTMSA-N |
