6WK
Summary
| Name: | (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid |
| Formula: | C7 H15 N O4 S3 |
| Formal charge: | 0 |
| Formula weight: | 273.393 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | CWMXJTTVAJOZEM-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSSC[C@@H](O)[C@H](O)CS)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(C(C(CSSCC(C(=O)O)N)O)O)S |
