7HS
Summary
| Name: | (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide |
| Formula: | C14 H28 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 328.411 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | VZSVGUHOHBMCOO-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C=O |
