E1Z

S-Trichostatin A

Created:	2016-03-18
Last modified:	2016-07-27

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1 entries where E1Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	6

2D diagram of E1Z

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Chemical Component Summary
Name	S-Trichostatin A
Systematic Name (OpenEye OEToolkits)	(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide
Formula	C₁₇ H₂₂ N₂ O₃
Molecular Weight	302.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
SMILES	OpenEye OEToolkits	1.7.6	CC(C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
Canonical SMILES	CACTVS	3.385	C[C@@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](/C=C(\C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C
InChI	InChI	1.03	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-/m0/s1
InChIKey	InChI	1.03	RTKIYFITIVXBLE-LEJRBOCMSA-N

Related Resource References

Resource Name	Reference
PubChem	13507024

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.