85F
Summary
| Name: | (2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid |
| Synonyms: | L-Lanthionine |
| Formula: | C6 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 208.235 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-3-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | DWPCPZJAHOETAG-IMJSIDKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(=O)O)N)SCC(C(=O)O)N |
