PDB CCD ID: | TSN |
Number of entries in BioLiP: | 44 |
Chemical formula: | C17 H22 N2 O3 |
InChI: | InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 |
InChIKey: | RTKIYFITIVXBLE-QEQCGCAPSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C | CACTVS 3.341 | C[C@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C | ACDLabs 10.04 | O=C(NO)\C=C\C(=C\C(C(=O)c1ccc(N(C)C)cc1)C)C | OpenEye OEToolkits 1.5.0 | CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C | OpenEye OEToolkits 1.5.0 | C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |
|
Name: | TRICHOSTATIN A; 7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE |
ChEMBL: | CHEMBL99 |
DrugBank: | DB04297 |
ZINC: | ZINC000100014731 |