1KJ
Summary
| Name: | N~5~-(N-methoxycarbamimidoyl)-L-ornithine |
| Formula: | C7 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-(N-methoxycarbamimidoyl)-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[(N-methoxycarbamimidoyl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])NOC |
| InChI | InChI | 1.03 | InChI=1S/C7H16N4O3/c1-14-11-7(9)10-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | FRTXFDDNHUEGNE-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CONC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CONC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CONC(=N)NCCCC(C(=O)O)N |
