CSA
Summary
| Name: | S-ACETONYLCYSTEINE |
| Formula: | C6 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 177.221 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(2-oxopropyl)-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-oxopropylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSCC(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)CSC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)CSC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BYMSHHJFWDLNBG-YFKPBYRVSA-N |
