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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025442

4-[3-[2-[(1R,2R,4aS,6S,8aS)-6-acetyloxy-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoic acid

Formula: C27H40N2O5  |  Mol. Weight: 472.60 g/mol

IUPAC: 4-[3-[2-[(1R,2R,4aS,6S,8aS)-6-acetyloxy-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2-cyanopyrrol-1-yl]butanoic acid

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Overview

Molecular Formula C27H40N2O5
Molecular Weight 472.60 g/mol
Canonical SMILES CC1CCC2C(C(CCC2(C1(CCC3=C(N(C=C3)CCCC(=O)O)C#N)O)C)OC(=O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy