A1IIG
Summary
| Name: | (3~{S})-3-azanyl-3-thiophen-2-yl-propanoic acid |
| Formula: | C7 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 171.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-3-thiophen-2-yl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | GYAYLYLPTPXESE-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(O)=O)c1sccc1 |
| SMILES | CACTVS | 3.385 | N[CH](CC(O)=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(CC(=O)O)N |
