V7W
(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Created: | 2021-04-26 |
Last modified: | 2021-08-25 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 22 |
Chiral Atom Count | 2 |
Bond Count | 23 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
---|---|
Name | (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S},4~{R})-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid |
Formula | C8 H9 N O2 S2 |
Molecular Weight | 215.293 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CS[CH](N1)c2sccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C2NC(CS2)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@@H]1CS[C@H](N1)c2sccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1 |
InChIKey | InChI | 1.03 | ZUDFHYZUQCNUJF-FSPLSTOPSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 686595, 6921419 |