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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP105336

Elisidepsin

Formula: C75H124N14O16  |  Mol. Weight: 1477.90 g/mol

IUPAC: (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide

Overview

Molecular Formula C75H124N14O16
Molecular Weight 1477.90 g/mol
Canonical SMILES CCC(C)CCC(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(C(C)CC)C(=O)NC2C(OC(=O)C(NC(=O)C(=CC)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)C)CC3=CC=CC=C3)C(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations