YRV
Summary
| Name: | S-[(3-methylphenyl)methyl]-L-cysteine |
| Formula: | C11 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 225.307 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(3-methylphenyl)methyl]-L-cysteine |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-[(3-methylphenyl)methylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSCc1cccc(C)c1 |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZQJYENZJJPWXJK-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(CSC[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(CSC[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)CSCC(C(=O)O)N |
