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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031484

methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12S,14R,15S,18R)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-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: C45H56N4O5  |  Mol. Weight: 732.90 g/mol

IUPAC: methyl (1S,14S,15R,17S,18S)-17-ethyl-6-[(1R,12S,14R,15S,18R)-15-ethyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-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 C45H56N4O5
Molecular Weight 732.90 g/mol
Canonical SMILES CCC1CC2CC3(C1N(C2CC(=O)C)CCC4=C3NC5=C4C=CC(=C5)C6CC7C(CN(C(C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy