A1JD5
Summary
| Name: | 4-[4-[3-[5-[(3~{S})-4,4-dimethyl-3-oxidanyl-pentyl]-4-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenoxy]-~{N}-oxidanyl-butanamide |
| Formula: | C26 H40 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 476.672 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[3-[5-[(3~{S})-4,4-dimethyl-3-oxidanyl-pentyl]-4-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenoxy]-~{N}-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H40N2O4S/c1-7-26(8-2,19-11-13-20(14-12-19)32-17-9-10-23(30)28-31)24-27-18(3)21(33-24)15-16-22(29)25(4,5)6/h11-14,22,29,31H,7-10,15-17H2,1-6H3,(H,28,30)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | CHEHAHOVAVDOHQ-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)(c1ccc(OCCCC(=O)NO)cc1)c2sc(CC[C@H](O)C(C)(C)C)c(C)n2 |
| SMILES | CACTVS | 3.385 | CCC(CC)(c1ccc(OCCCC(=O)NO)cc1)c2sc(CC[CH](O)C(C)(C)C)c(C)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(c1ccc(cc1)OCCCC(=O)NO)c2nc(c(s2)CC[C@@H](C(C)(C)C)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(c1ccc(cc1)OCCCC(=O)NO)c2nc(c(s2)CCC(C(C)(C)C)O)C |
