GQI
Summary
| Name: | (2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid |
| Formula: | C5 H8 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 208.192 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | UKPHWYCUZNYAML-COCXTYOSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSO/N=C/C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSON=CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H](C(=O)O)N)SO/N=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(=O)O)N)SON=CC(=O)O |
