1ME
Summary
| Name: | (2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID |
| Formula: | C5 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 149.211 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-methylsulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.06 | PWDYHRMBGRYCAP-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CS[C@@H](C)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CS[CH](C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC([C@H](C(=O)O)N)SC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C(=O)O)N)SC |
