N-β-Alanyldopamine; N-Ac, 3-O-β-D-glucopyranoside 

AlkaPlorer ID: AK283736

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(=O)NCCC(=O)NCCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1

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InChI: InChI=1S/C19H28N2O9/c1-10(23)20-7-5-15(25)21-6-4-11-2-3-12(24)13(8-11)29-19-18(28)17(27)16(26)14(9-22)30-19/h2-3,8,14,16-19,22,24,26-28H,4-7,9H2,1H3,(H,20,23)(H,21,25)

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InChIKey: ZRIDYRKDXWJJKK-UHFFFAOYSA-N

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Reference

CAS: 88874-85-5

Properties Information

Molecule Weight: 428.4380000000001

TPSA: 177.81

MolLogP: -2.2441999999999966

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information