JJL
Summary
| Name: | S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine |
| Formula: | C10 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 258.294 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-azanyl-3-[(S)-hydroxy-(5-methoxypyridin-3-yl)methyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC(O)c1cncc(OC)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cncc(c1)[C@@H](O)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1cncc(c1)[CH](O)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(cnc1)C(O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZARNOYAJRQCTEJ-WPRPVWTQSA-N |
