MSA
Summary
| Name: | (2-S-METHYL) SARCOSINE |
| Formula: | C4 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 135.185 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-(methylamino)(methylsulfanyl)ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-methylamino-2-methylsulfanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(SC)NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CN[C@H](SC)C(O)=O |
| SMILES | CACTVS | 3.341 | CN[CH](SC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN[C@@H](C(=O)O)SC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC(C(=O)O)SC |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2S/c1-5-3(8-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | MOIPICHFNZESGC-GSVOUGTGSA-N |
