D5G
Summary
| Name: | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE |
| Synonyms: | SNJ-1715 |
| Formula: | C17 H25 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 351.464 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-N-[(3S,5S)-5-hydroxyoxolan-3-yl]-4-methyl-2-(phenylcarbamothioylamino)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@@H]2CO[C@H](O)C2 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](NC(=S)Nc1ccccc1)C(=O)N[CH]2CO[CH](O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](OC1)O)NC(=S)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C(=O)NC1CC(OC1)O)NC(=S)Nc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | DBPWWBMTZYJGGV-KKUMJFAQSA-N |
