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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014497

[(1R,2S,4R,6R,7S,10S,11R,13S,14S,15R,16R)-15-acetyloxy-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-14-[[(E)-2-methylbut-2-enoyl]amino]-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-13-yl] acetate

Formula: C31H48N2O6  |  Mol. Weight: 544.70 g/mol

IUPAC: [(1R,2S,4R,6R,7S,10S,11R,13S,14S,15R,16R)-15-acetyloxy-7,11-dimethyl-6-[(1S)-1-(methylamino)ethyl]-14-[[(E)-2-methylbut-2-enoyl]amino]-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadecan-13-yl] acetate

Overview

Molecular Formula C31H48N2O6
Molecular Weight 544.70 g/mol
Canonical SMILES CC=C(C)C(=O)NC1C(CC2(C(C1OC(=O)C)CCC3C2CCC4(C3CC5C4(O5)C(C)NC)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy