1KM
Summary
| Name: | (2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid |
| Formula: | C6 H14 N O6 P S |
| Formal charge: | 0 |
| Formula weight: | 259.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-3-[(1R,2S)-2-oxidanyl-1-phosphono-propyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H14NO6PS/c1-3(8)6(14(11,12)13)15-2-4(7)5(9)10/h3-4,6,8H,2,7H2,1H3,(H,9,10)(H2,11,12,13)/t3-,4-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | ACZNEKUZDVGTFM-RVJQKOHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)[C@@H](SC[C@H](N)C(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH](SC[CH](N)C(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(P(=O)(O)O)SCC(C(=O)O)N)O |
