Biarylitide YYH

AlkaPlorer ID: AK070915

Synonym: None

IUPAC Name: 13-acetamido-18-hydroxy-10-[(4-hydroxyphenyl)methyl]-9,12-dioxo-3,8,11,20-tetrazatricyclo[13.3.1.12,5]icosa-1(18),2,4,15(19),16-pentaene-7-carboxylic acid

Structure

SMILES: CC(=O)NC1CC2=CC=C(O)C(=C2)C2=NC=C(CC(C(=O)O)NC(=O)C(CC3=CC=C(O)C=C3)NC1=O)N2

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InChI: InChI=1S/C26H27N5O7/c1-13(32)28-19-10-15-4-7-22(34)18(8-15)23-27-12-16(29-23)11-21(26(37)38)31-25(36)20(30-24(19)35)9-14-2-5-17(33)6-3-14/h2-8,12,19-21,33-34H,9-11H2,1H3,(H,27,29)(H,28,32)(H,30,35)(H,31,36)(H,37,38)

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InChIKey: ZPRWGNIYRGILHV-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 521.5300000000002

TPSA: 193.74

MolLogP: 0.3880999999999987

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information