TOZ
Summary
Name: | 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid |
Formula: | C8 H7 N3 O3 S |
Formal charge: | 0 |
Formula weight: | 225.224 Da |
Component type: | peptide linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13) |
InChIKey | InChI | 1.03 | PULCVIHVEVCGJR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1scc(n1)c2occ(n2)C(O)=O |
SMILES | CACTVS | 3.385 | NCc1scc(n1)c2occ(n2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(nc(o1)c2csc(n2)CN)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(nc(o1)c2csc(n2)CN)C(=O)O |