Trichostatin A; N-Deoxy, N-(1R-carboxy-2-hydroxy-1-methylethyl) 

AlkaPlorer ID: AK316352

Synonym: JBIR 111

IUPAC Name: None

Structure

SMILES: CC(/C=C/C(=O)NC(C)(CO)C(=O)O)=C\C(C)C(=O)C1=CC=C(N(C)C)C=C1

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InChI: InChI=1S/C21H28N2O5/c1-14(6-11-18(25)22-21(3,13-24)20(27)28)12-15(2)19(26)16-7-9-17(10-8-16)23(4)5/h6-12,15,24H,13H2,1-5H3,(H,22,25)(H,27,28)/b11-6+,14-12+

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InChIKey: VTYVYDJWZOWXEE-RGNKTVKFSA-N

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Reference

CAS: 1356586-18-9

Source

Properties Information

Molecule Weight: 388.4640000000001

TPSA: 106.94

MolLogP: 2.0257

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information