C1S
Summary
| Name: | 3-(prop-2-en-1-yldisulfanyl)-L-alanine |
| Formula: | C6 H11 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 193.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(prop-2-en-1-yldisulfanyl)-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-3-(prop-2-enyldisulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSSC\C=C |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WYQZZUUUOXNSCS-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSSCC=C)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSSCC=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCSSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCSSCC(C(=O)O)N |
