HNC
Summary
| Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine |
| Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal |
| Formula: | C12 H23 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 277.38 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-azanyl-3-[(3S,4R)-4-hydroxy-1-oxo-nonan-3-yl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(N)CSC(C(O)CCCCC)CC=O |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCC[C@@H](O)[C@H](CC=O)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.352 | CCCCC[CH](O)[CH](CC=O)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCC[C@H]([C@H](CC=O)SC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCC(C(CC=O)SCC(C(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | SALPDUSHMTYYOH-AXFHLTTASA-N |
