PEC
Summary
| Name: | S,S-PENTYLTHIOCYSTEINE |
| Formula: | C8 H17 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 223.356 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(pentyldisulfanyl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-pentyldisulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCSSC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCSSC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCSSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCSSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2S2/c1-2-3-4-5-12-13-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QFYJSCJLKKAFDH-ZETCQYMHSA-N |
