A1D64
Summary
| Name: | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid |
| Synonyms: | S-(4-aminophenyl)cysteine |
| Formula: | C9 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 212.269 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | MKNUDZLYGPHPRY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSc1ccc(N)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSc1ccc(N)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)SCC(C(=O)O)N |
