SMZ
Summary
| Name: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine |
| Synonyms: | S-methyl-L-thiocitrulline |
| Formula: | C7 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 205.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[(methylsulfanylcarbonimidoyl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCNC(=[N@H])SC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CSC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\SC |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(NCCCC(C(=O)O)N)SC |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | NGVMVBQRKZPFLB-YFKPBYRVSA-N |
