PR3
Summary
| Name: | S,S-PROPYLTHIOCYSTEINE |
| Formula: | C6 H13 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 179.304 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-amino-3-(propyldisulfanyl)propanal |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-propyldisulfanyl-propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(N)CSSCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCSSC[C@H](N)C=O |
| SMILES | CACTVS | 3.341 | CCCSSC[CH](N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCSSC[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCSSCC(C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13NOS2/c1-2-3-9-10-5-6(7)4-8/h4,6H,2-3,5,7H2,1H3/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | JOUZYBMKOXDVCY-ZCFIWIBFSA-N |
