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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012729

Prenylagaramide A

Formula: C54H68N10O14  |  Mol. Weight: 1081.20 g/mol

IUPAC: 3-[(3S,6S,9S,12S,18S,24S,27S)-3-(2-amino-2-oxoethyl)-6,9-dibenzyl-18-[(1R)-1-hydroxyethyl]-24-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-12-yl]propanoic acid

Overview

Molecular Formula C54H68N10O14
Molecular Weight 1081.20 g/mol
Canonical SMILES CC(C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NCC(=O)N1)CC3=CC=C(C=C3)OCC=C(C)C)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CCC(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy