JM7
Summary
| Name: | N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine |
| Formula: | C9 H19 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 233.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[(1E)-2-(ethylsulfanyl)ethanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-5-(2-ethylsulfanylethanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])CSCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCSCC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CCSCC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\CSCC)/NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCSCC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H19N3O2S/c1-2-15-6-8(11)12-5-3-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | GKZCWWBQARDOFD-ZETCQYMHSA-N |
