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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014949

Phakellistatin 13

Formula: C42H54N8O8  |  Mol. Weight: 798.90 g/mol

IUPAC: (6S,9S,15S,18S,21S,24S)-6-benzyl-21-[(1R)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-18-(2-methylpropyl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone

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Overview

Molecular Formula C42H54N8O8
Molecular Weight 798.90 g/mol
Canonical SMILES CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NCC(=O)N3CCCC3C(=O)NC(C(=O)N1)C(C)O)CC4=CC=CC=C4)CC5=CNC6=CC=CC=C65

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy