VR0
Summary
| Name: | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine |
| Formula: | C8 H17 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 231.252 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)NC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CNC(=O)NC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)NC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)NC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | HXZSPNCUGZQZJU-YFKPBYRVSA-N |
