R33
Summary
| Name: | N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide |
| Formula: | C9 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 229.279 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-~{N}-[(3~{S})-6-carbamimidamido-2-oxidanylidene-hexan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C)C(CCCN/C(N)=N)NC(=O)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H19N5O2/c1-6(15)7(14-8(16)5-10)3-2-4-13-9(11)12/h7H,2-5,10H2,1H3,(H,14,16)(H4,11,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | CAKKYWQZWULXCC-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@H](CCCNC(N)=N)NC(=O)CN |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](CCCNC(N)=N)NC(=O)CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\N)/NCCC[C@@H](C(=O)C)NC(=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)C(CCCNC(=N)N)NC(=O)CN |
