KCJ
Summary
| Name: | 3-(1,3-thiazol-4-yl)-L-alanine |
| Formula: | C6 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 172.205 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1,3-thiazol-4-yl)-L-alanine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(1,3-thiazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1scnc1CC(C(O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WBZIGVCQRXJYQD-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cscn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cscn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(ncs1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(ncs1)CC(C(=O)O)N |
