VIO
Summary
| Name: | N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE |
| Formula: | C9 H20 N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 202.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-{[(4S)-4-amino-4-carboxybutyl]amino}butan-1-iminium |
| OpenEye OEToolkits | 1.5.0 | 1-[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]butylideneazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCN/C(=[NH2+])CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=[NH2+])NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCC(=[NH2+])NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=[NH2+])NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | KRILJVOCVSUPMA-ZETCQYMHSA-O |
