FA4
Summary
| Name: | SM-25453 |
| Synonyms: | (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE |
| Formula: | C24 H42 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 462.629 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1R)-5-amino-1-(hydroxycarbamoyl)pentyl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2R)-6-amino-1-(hydroxyamino)-1-oxo-hexan-2-yl]-10-[2-(carbamimidamidomethyl)phenyl]decanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)CCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCC[C@@H](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO |
| SMILES | CACTVS | 3.341 | NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCc1ccccc1CCCCCCCCCC(=O)NC(CCCCN)C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | DPKFTMHWVJEOMW-OAQYLSRUSA-N |
