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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031385

methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12R,13R,14S,15E)-15-ethylidene-13-methoxycarbonyl-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-yl]-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Formula: C45H53N4O5+  |  Mol. Weight: 729.90 g/mol

IUPAC: methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12R,13R,14S,15E)-15-ethylidene-13-methoxycarbonyl-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-1-yl]-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

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Overview

Molecular Formula C45H53N4O5+
Molecular Weight 729.90 g/mol
Canonical SMILES CCC1CC2CC3(C1N(C2CC(=O)C)CCC4=C3NC5=C4C=CC(=C5)C67CC8C(C([N+]6(CC8=CC)C)CC9=C7NC1=CC=CC=C91)C(=O)OC)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy