2-N,6-N-di-(2,3-dihydroxybenzoyl)-L-lysine

AlkaPlorer ID: AK066839

Synonym: None

IUPAC Name: (2S)-2,6-bis[(2,3-dihydroxybenzoyl)amino]hexanoic acid

Structure

SMILES: O=C(O)[C@H](CCCCN=C(O)C1=CC=CC(O)=C1O)N=C(O)C1=CC=CC(O)=C1O

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InChI: InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1

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InChIKey: KQPFLOCEYZIIRD-ZDUSSCGKSA-N

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Properties Information

Molecule Weight: 418.40200000000016

TPSA: 183.4

MolLogP: 2.4419000000000013

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None NON-PROTEIN TARGET IC50 2500.0 nM 10.1016/j.bmc.2009.02.040
None NON-PROTEIN TARGET IC50 7500.0 nM 10.1016/j.bmc.2009.02.040
None NON-PROTEIN TARGET Inhibition 0.0 % 10.1016/j.bmc.2009.02.040
None NON-PROTEIN TARGET Inhibition 30.0 % 10.1016/j.bmc.2009.02.040

Metabolism Information