DYW
Summary
| Name: | (2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid |
| Formula: | C9 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 230.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O5/c10-5(4-7(12)13)8(14)11-3-1-2-6(11)9(15)16/h5-6H,1-4,10H2,(H,12,13)(H,15,16)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | UKGGPJNBONZZCM-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)C(=O)N1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(N(C1)C(=O)C(CC(=O)O)N)C(=O)O |
