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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021622

5-Oxoleurosine

Formula: C46H54N4O10  |  Mol. Weight: 822.90 g/mol

IUPAC: methyl (13S,16R,18R)-13-[(11R,12R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-19-oxo-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate

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Overview

Molecular Formula C46H54N4O10
Molecular Weight 822.90 g/mol
Canonical SMILES CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)C(=O)C1(C7O1)CC)C(=O)OC)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy