SJ2
Summary
| Name: | ~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide |
| Formula: | C9 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H20N4O2/c1-7(15)13(2)8(6-14)4-3-5-12-9(10)11/h8,14H,3-6H2,1-2H3,(H4,10,11,12)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | FVJAWAIBRGBBJT-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@H](CO)CCCNC(N)=N)C(C)=O |
| SMILES | CACTVS | 3.385 | CN([CH](CO)CCCNC(N)=N)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCC[C@@H](CO)N(C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(C)C(CCCNC(=N)N)CO |
