TPZ
Summary
| Name: | O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine |
| Formula: | C9 H18 N O7 P S |
| Formal charge: | 0 |
| Formula weight: | 315.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine |
| OpenEye OEToolkits | 1.7.0 | (2S,3R)-3-phosphonooxy-2-(5-sulfanylpentanoylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCS |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCS)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)O)NC(=O)CCCCS)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H18NO7PS/c1-6(17-18(14,15)16)8(9(12)13)10-7(11)4-2-3-5-19/h6,8,19H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)/t6-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | PXLGZPNRHROFQI-SVRRBLITSA-N |
