SCI
Summary
| Name: | L-THIOCITRULLINE |
| Formula: | C6 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 191.251 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (Z)-N~5~-[amino(sulfanyl)methylidene]-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[(amino-sulfanyl-methylidene)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC/N=C(\S)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCN=C(N)S)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCN=C(N)S)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)C/N=C(/N)\S |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CN=C(N)S |
| InChI | InChI | 1.03 | InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | BKGWACHYAMTLAF-BYPYZUCNSA-N |
