BB7
Summary
| Name: | (2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid |
| Formula: | C5 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 163.195 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-amino-4-methoxy-3-sulfanylbut-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (Z)-2-amino-4-methoxy-3-sulfanyl-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C(N)=C(/S)COC |
| SMILES_CANONICAL | CACTVS | 3.352 | COCC(/S)=C(/N)C(O)=O |
| SMILES | CACTVS | 3.352 | COCC(S)=C(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COC/C(=C(\C(=O)O)/N)/S |
| SMILES | OpenEye OEToolkits | 1.6.1 | COCC(=C(C(=O)O)N)S |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO3S/c1-9-2-3(10)4(6)5(7)8/h10H,2,6H2,1H3,(H,7,8)/b4-3- |
| InChIKey | InChI | 1.03 | JPINPMIDZIQLCC-ARJAWSKDSA-N |
