IXU
Summary
| Name: | (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide |
| Formula: | C21 H44 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 456.626 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H44N8O3/c1-2-18(30)28-17(11-5-7-13-23)20(32)29-16(10-4-6-12-22)19(31)26-14-8-3-9-15-27-21(24)25/h16-17H,2-15,22-23H2,1H3,(H,26,31)(H,28,30)(H,29,32)(H4,24,25,27)/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | SINLQTCMIZAAEG-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCCNC(N)=N |
| SMILES | CACTVS | 3.385 | CCC(=O)N[CH](CCCCN)C(=O)N[CH](CCCCN)C(=O)NCCCCCNC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCCCCCNC(=N)N |
