2-[(2S)-4-ethyl-3-hydroxy-2-[(1E)-2-methylbuta-1,3-dien-1-yl]-5-oxothiophen-2-yl]acetamide

AlkaPlorer ID: AK081188

Synonym: None

IUPAC Name: 2-[(2S)-4-ethyl-3-hydroxy-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxothiophen-2-yl]acetamide

Structure

SMILES: C=C/C(C)=C/[C@]1(CC(=N)O)SC(=O)C(CC)=C1O

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InChI: InChI=1S/C13H17NO3S/c1-4-8(3)6-13(7-10(14)15)11(16)9(5-2)12(17)18-13/h4,6,16H,1,5,7H2,2-3H3,(H2,14,15)/b8-6+/t13-/m1/s1

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InChIKey: GNZUNOUXZMJOPW-STMXVASLSA-N

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Source

Properties Information

Molecule Weight: 267.35

TPSA: 81.38

MolLogP: 3.2783700000000007

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information