RGE
Summary
| Name: | (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID |
| Formula: | C8 H17 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 235.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-{(1E)-2-[(R)-methylsulfinyl]ethanimidoyl}-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-(2-methylsulfinylethanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(CC(=[N@H])NCCCC(C(=O)O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C8H17N3O3S/c1-15(14)5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-,15+/m0/s1 |
| InChIKey | InChI | 1.03 | PZGMBMRDRVWIGU-WDDATRMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S@@](=O)CC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)CC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CS(=O)CC(=N)NCCCC(C(=O)O)N |
