TYX
Summary
| Name: | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE |
| Formula: | C11 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 254.305 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[2-oxo-2-(phenylamino)ethyl]-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(2-oxo-2-phenylazanyl-ethyl)sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1)CSCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCC(=O)Nc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSCC(=O)Nc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)CSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | KIOKPANRTZJOEP-VIFPVBQESA-N |
