TIH
Summary
| Name: | BETA(2-THIENYL)ALANINE |
| Formula: | C7 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 171.217 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-thiophen-2-yl-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-thiophen-2-yl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1sccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1sccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | WTOFYLAWDLQMBZ-LURJTMIESA-N |
