(2S)-2-amino-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanoic acid

AlkaPlorer ID: AK451746

Synonym: None

IUPAC Name: 2-amino-4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanoic acid

Structure

SMILES: NC(CCOC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)O

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InChI: InChI=1S/C13H15NO6/c14-9(13(18)19)5-6-20-12(17)4-2-8-1-3-10(15)11(16)7-8/h1-4,7,9,15-16H,5-6,14H2,(H,18,19)

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InChIKey: LZLSTORCTUAAEH-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 281.264

TPSA: 130.07999999999998

MolLogP: 0.4561999999999998

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information