KPY
Summary
| Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID |
| Synonyms: | PYRUVOYL-L-THIALYSINE |
| Formula: | C8 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 234.273 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
| OpenEye OEToolkits | 1.9.2 | (2R)-2-azanyl-3-[2-[(E)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]ethylsulfanyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSCC/N=C(/C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | GXEFLMSEGCZSFI-UEEORIODSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=NCCSC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=NCCSC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=NCCSCC(C(=O)O)N)C(=O)O |
