ZT9
Summary
| Name: | (2R)-amino(4-methoxyphenyl)ethanethioic O-acid |
| Formula: | C9 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 197.254 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-amino(4-methoxyphenyl)ethanethioic O-acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-2-(4-methoxyphenyl)ethanethioic O-acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1)C(N)C(O)=S |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO2S/c1-12-7-4-2-6(3-5-7)8(10)9(11)13/h2-5,8H,10H2,1H3,(H,11,13)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | INSVIGJTBISSTF-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H](N)C(O)=S |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH](N)C(O)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)[C@H](C(=S)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C(C(=S)O)N |
