UG6
Summary
| Name: | methyl N-acetyl-L-cysteinate |
| Formula: | C6 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 177.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-acetyl-L-cysteinate |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{R})-2-acetamido-3-sulfanyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)C(NC(=O)C)CS |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11)6(9)10-2/h5,11H,3H2,1-2H3,(H,7,8)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | QTKAQJWFVXPIFV-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H](CS)NC(C)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](CS)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](CS)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CS)C(=O)OC |
