EKQ
Summary
| Name: | (2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid |
| Formula: | C10 H16 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 292.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | VKZRWSNIWNFCIQ-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](NCCN[C@@H](CC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](NCCN[CH](CC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CNC(CC(=O)O)C(=O)O)NC(CC(=O)O)C(=O)O |
