BB9
Summary
| Name: | (2Z)-2-amino-3-sulfanylprop-2-enoic acid |
| Formula: | C3 H5 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 119.142 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-amino-3-sulfanylprop-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (Z)-2-amino-3-sulfanyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C(N)=C/S |
| SMILES_CANONICAL | CACTVS | 3.352 | N\C(=C/S)C(O)=O |
| SMILES | CACTVS | 3.352 | NC(=CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C(=C(\C(=O)O)/N)/S |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(=C(C(=O)O)N)S |
| InChI | InChI | 1.03 | InChI=1S/C3H5NO2S/c4-2(1-7)3(5)6/h1,7H,4H2,(H,5,6)/b2-1- |
| InChIKey | InChI | 1.03 | SJJZZRKMMDXVIJ-UPHRSURJSA-N |
