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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012077

Prenylagaramide B

Formula: C49H68N8O10  |  Mol. Weight: 929.10 g/mol

IUPAC: 2-[(3S,6S,9S,15S,18S,21S,24S)-6-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-21-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-18-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide

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Overview

Molecular Formula C49H68N8O10
Molecular Weight 929.10 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N1)CC4=CC=C(C=C4)O)CC(C)C)CC5=CC=C(C=C5)OCC=C(C)C)CC(=O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy