QJW
Summary
| Name: | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid |
| Formula: | C11 H12 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 284.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl)methoxy]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O7/c12-8(10(14)15)9(11(16)17)20-5-6-3-1-2-4-7(6)13(18)19/h1-4,8-9H,5,12H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | HNODNICZBKOFOC-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@H](OCc1ccccc1[N](=O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](OCc1ccccc1[N](=O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)COC(C(C(=O)O)N)C(=O)O)N(=O)=O |
