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E1Z

Summary
Name:S-Trichostatin A
Formula:C17 H22 N2 O3
Formal charge:0
Formula weight:302.368 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=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-/m0/s1
InChIKeyInChI1.03RTKIYFITIVXBLE-LEJRBOCMSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
SMILESCACTVS3.385C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C
SMILESOpenEye OEToolkits1.7.6CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C

222415

PDB entries from 2024-07-10

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