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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006839

methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,9S,12S,13S,14S,19R)-12-ethyl-13,14-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

Formula: C43H54N4O8  |  Mol. Weight: 754.90 g/mol

IUPAC: methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1R,9S,12S,13S,14S,19R)-12-ethyl-13,14-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

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Overview

Molecular Formula C43H54N4O8
Molecular Weight 754.90 g/mol
Canonical SMILES CCC12CCC3C4(C1N(CC4)CC(C2O)O)C5=C(N3C)C=CC(=C5)C6C7C(O7)C8(CC(=C9C1(C8N6CC1)C1=CC(=C(C(=C1N9)OC)OC)O)C(=O)OC)CC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy