BB6
Summary
| Name: | (2Z)-2-amino-3-sulfanylbut-2-enoic acid |
| Formula: | C4 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 133.169 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-amino-3-sulfanylbut-2-enoic acid |
| OpenEye OEToolkits | 1.6.1 | (Z)-2-amino-3-sulfanyl-but-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)/C(N)=C(/S)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(/S)=C(/N)C(O)=O |
| SMILES | CACTVS | 3.352 | CC(S)=C(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C/C(=C(\C(=O)O)/N)/S |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=C(C(=O)O)N)S |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO2S/c1-2(8)3(5)4(6)7/h8H,5H2,1H3,(H,6,7)/b3-2- |
| InChIKey | InChI | 1.03 | UDVAMSWYAZEHGC-IHWYPQMZSA-N |
