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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016884

bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylate

Formula: C53H81N3O8  |  Mol. Weight: 888.20 g/mol

IUPAC: bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylate

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Overview

Molecular Formula C53H81N3O8
Molecular Weight 888.20 g/mol
Canonical SMILES CC1CN(CC2C1CC(C2C)OC(=O)C=C(C)CCC3C(C(C3(C)C(=O)OC4CC5C(CN(CC5C4C)C)C)C6=CC(=C(C=C6)O)OC)C(=O)OC7CC8C(CN(CC8C7C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy