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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007051

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2S)-2-methylbutanoyl]amino]benzoate

Formula: C37H54N2O9  |  Mol. Weight: 670.80 g/mol

IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2S)-2-methylbutanoyl]amino]benzoate

Overview

Molecular Formula C37H54N2O9
Molecular Weight 670.80 g/mol
Canonical SMILES CCC(C)C(=O)NC1=CC=CC=C1C(=O)OCC23CCC(C45C2C(C(C4N(C3)CC)(C6(CC(C7CC5C6C7OC)OC)O)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy