CS3
Summary
| Name: | S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE |
| Synonyms: | (R)-2-AMINO-3-(3-OXO-3-(THIOPHEN-2-YL)PROPYLTHIO)PROPANOIC ACID |
| Formula: | C10 H13 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 259.345 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-(3-oxo-3-thiophen-2-ylpropyl)-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(3-oxo-3-thiophen-2-yl-propyl)sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1sccc1)CCSCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSCCC(=O)c1sccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSCCC(=O)c1sccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C(=O)CCSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C(=O)CCSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3S2/c11-7(10(13)14)6-15-5-3-8(12)9-2-1-4-16-9/h1-2,4,7H,3,5-6,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | QMUFEUHDBQFJTK-ZETCQYMHSA-N |
