A1ASZ
Summary
| Name: | 5-sulfanyl-L-histidine |
| Formula: | C6 H9 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 187.22 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-sulfanyl-L-histidine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(5-sulfanyl-1~{H}-imidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Sc1[NH]cnc1CC(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1 |
| InChIKey | InChI | 1.06 | WBSBVAGWUGLYEZ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1nc[nH]c1S)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1nc[nH]c1S)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1[nH]c(c(n1)C[C@@H](C(=O)O)N)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1[nH]c(c(n1)CC(C(=O)O)N)S |
