CCW
Summary
| Name: | (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid |
| Formula: | C8 H17 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 251.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (E)-N~5~-[1-amino-2-(methylsulfonyl)ethylidene]-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[(E)-(1-azanyl-2-methylsulfonyl-ethylidene)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(CC(=N/CCCC(C(=O)O)N)\N)C |
| InChI | InChI | 1.03 | InChI=1S/C8H17N3O4S/c1-16(14,15)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 | ABSOUQYCCCLTCI-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)CC(N)=NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)CC(N)=NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)C/C(=N\CCC[C@@H](C(=O)O)N)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CS(=O)(=O)CC(=NCCCC(C(=O)O)N)N |
