JM2
Summary
| Name: | N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine |
| Formula: | C8 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 219.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N~5~-[(1E)-2-(methylsulfanyl)ethanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-5-(2-methylsulfanylethanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(N)CCCNC(=[N@H])CSC |
| SMILES_CANONICAL | CACTVS | 3.352 | CSCC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.352 | CSCC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\CSC)/NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CSCC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H17N3O2S/c1-14-5-7(10)11-4-2-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | VXQPBNRYLWZLLJ-LURJTMIESA-N |
