Summary
| Name: | N-acetyl-L-cysteine |
| Formula: | C5 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 163.195 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-cysteine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-acetamido-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)CS)C |
| InChI | InChI | 1.02 | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.02 | PWKSKIMOESPYIA-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)N[C@@H](CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NC(CS)C(=O)O |
