Trichostatin A; N-Deoxy, N-(1S,3-dicarboxypropyl) 

AlkaPlorer ID: AK316353

Synonym: JBIR 109

IUPAC Name: None

Structure

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

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InChI: InChI=1S/C22H28N2O6/c1-14(5-11-19(25)23-18(22(29)30)10-12-20(26)27)13-15(2)21(28)16-6-8-17(9-7-16)24(3)4/h5-9,11,13,15,18H,10,12H2,1-4H3,(H,23,25)(H,26,27)(H,29,30)/b11-5+,14-13+

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InChIKey: MROXIWXRMZGHLJ-ZNTOYHHLSA-N

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Reference

CAS: 1356586-16-7

Source

Properties Information

Molecule Weight: 416.47400000000016

TPSA: 124.01

MolLogP: 2.5081

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