Z98
Summary
| Name: | (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid |
| Formula: | C12 H18 N3 O7 P |
| Formal charge: | 0 |
| Formula weight: | 347.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-4-[(Z)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1ncc(CO[P](O)(O)=O)c(C=NCC[C@H](N)C(O)=O)c1O |
| SMILES | CACTVS | 3.352 | Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C(O)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H18N3O7P/c1-7-11(16)9(5-14-3-2-10(13)12(17)18)8(4-15-7)6-22-23(19,20)21/h4-5,10,16H,2-3,6,13H2,1H3,(H,17,18)(H2,19,20,21)/b14-5-/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | BBWBZEWRKQXPMM-YXBHYIBOSA-N |
