0JR
Summary
| Name: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide |
| Formula: | C15 H23 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 309.361 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide |
| OpenEye OEToolkits | 1.7.6 | (2R)-3,3-dimethyl-2,4-bis(oxidanyl)-N-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(=O)NCc1cccnc1)C(O)C(C)(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C15H23N3O4/c1-15(2,10-19)13(21)14(22)17-7-5-12(20)18-9-11-4-3-6-16-8-11/h3-4,6,8,13,19,21H,5,7,9-10H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | VXNNKPMWKMAMDX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCc1cccnc1 |
| SMILES | CACTVS | 3.370 | CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(CO)C(C(=O)NCCC(=O)NCc1cccnc1)O |
