OSS
Summary
| Name: | 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID |
| Formula: | C11 H23 N O3 S3 |
| Formal charge: | 0 |
| Formula weight: | 313.5 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6S)-8-[(aminomethyl)sulfanyl]-6-[(2-hydroxyethyl)disulfanyl]octanoic acid |
| OpenEye OEToolkits | 1.5.0 | (6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCC(SSCCO)CCSCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCSCC[C@H](CCCCC(O)=O)SSCCO |
| SMILES | CACTVS | 3.341 | NCSCC[CH](CCCCC(O)=O)SSCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)O)C[C@@H](CCSCN)SSCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)O)CC(CCSCN)SSCCO |
| InChI | InChI | 1.03 | InChI=1S/C11H23NO3S3/c12-9-16-7-5-10(18-17-8-6-13)3-1-2-4-11(14)15/h10,13H,1-9,12H2,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | BFRWEULQQALYNZ-JTQLQIEISA-N |
