N-[(1R)-1-{4-[(1E,3E)-6-[(1R,2S)-2-hydroxy-2-methyl-5-oxocyclohexyl]-5-oxohexa-1,3-dien-1-yl]-1,3-thiazol-2-yl}ethyl]acetamide

AlkaPlorer ID: AK526079

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(O)=NC(C)C1=NC(C=C/C=C/C(=O)CC2CC(=O)CCC2(C)O)=CS1

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InChI: InChI=1S/C20H26N2O4S/c1-13(21-14(2)23)19-22-16(12-27-19)6-4-5-7-17(24)10-15-11-18(25)8-9-20(15,3)26/h4-7,12-13,15,26H,8-11H2,1-3H3,(H,21,23)/b6-4?,7-5+

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InChIKey: SQWIUXIQFDGCBG-PKSVUWDWSA-N

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Properties Information

Molecule Weight: 390.50500000000017

TPSA: 99.85

MolLogP: 3.829300000000004

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information