CS1
Summary
| Name: | S-(2-ANILINYL-SULFANYL)-CYSTEINE |
| Synonyms: | 3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE |
| Formula: | C9 H12 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 244.334 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(2-aminophenyl)disulfanyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-aminophenyl)disulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSc1ccccc1N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSSc1ccccc1N)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSSc1ccccc1N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)SSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)SSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZHCKRZMSUKPEHB-ZETCQYMHSA-N |
