N-β-Alanyltyrosine; (S)-form 

AlkaPlorer ID: AK283749

Synonym: L-form 

IUPAC Name: 2-(3-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid

Structure

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

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InChI: InChI=1S/C12H16N2O4/c13-6-5-11(16)14-10(12(17)18)7-8-1-3-9(15)4-2-8/h1-4,10,15H,5-7,13H2,(H,14,16)(H,17,18)

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InChIKey: WGWJYTHWZADNIG-UHFFFAOYSA-N

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Reference

PubChem CID: 61156801

COCONUT: CNP0246414.1

Properties Information

Molecule Weight: 252.27

TPSA: 112.65000000000002

MolLogP: -0.1470999999999998

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information