UHF
Summary
| Name: | N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide |
| Formula: | C19 H30 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 378.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]-3-(5-methylpyridin-2-yl)urea |
| OpenEye OEToolkits | 1.7.2 | N-[(2R,4S)-2-butyl-5-methyl-4-[(5-methylpyridin-2-yl)carbamoylamino]-3-oxidanylidene-hexyl]-N-oxidanyl-methanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H30N4O4/c1-5-6-7-15(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-9-8-14(4)10-20-16/h8-10,12-13,15,17,27H,5-7,11H2,1-4H3,(H2,20,21,22,26)/t15-,17+/m1/s1 |
| InChIKey | InChI | 1.03 | AMPUUHFRILVRDV-WBVHZDCISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccc(C)cn1)C(C)C |
| SMILES | CACTVS | 3.370 | CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1ccc(C)cn1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cn1)C |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc(cn1)C |
