IOR
Summary
| Name: | N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine |
| Formula: | C9 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.248 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[[(5R)-5-methyl-4-oxidanylidene-1,5-dihydroimidazol-2-yl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(NCCCC(C(=O)O)N)NC1C |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | KGQMQNPFMOBJCY-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NC(=NC1=O)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1NC(=NC1=O)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(=O)N=C(N1)NCCCC(C(=O)O)N |
