EJA
Summary
| Name: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
| Formula: | C6 H10 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 222.219 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-3-[(~{Z})-~{C}-(2-hydroxy-2-oxoethyl)-~{N}-oxidanyl-carbonimidoyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CS\C(=N/O)CC(O)=O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | JQASJBGYGONXEA-TVLFVMPKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CS\C(CC(O)=O)=N/O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC(CC(O)=O)=NO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(=O)O)N)SC(=NO)CC(=O)O |
