BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006938

methyl (9R,12S,13Z,16S,17R,18S)-13-ethylidene-18-hydroxy-8-[[(1S,12S,13R,16R,17R,18R)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

Formula: C42H50N4O5  |  Mol. Weight: 690.90 g/mol

IUPAC: methyl (9R,12S,13Z,16S,17R,18S)-13-ethylidene-18-hydroxy-8-[[(1S,12S,13R,16R,17R,18R)-16-hydroxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

3D View Find Similar

Overview

Molecular Formula C42H50N4O5
Molecular Weight 690.90 g/mol
Canonical SMILES CC=C1CN2C3CC1C4(C2CC5(C3N(C6=CC=CC=C65)CC7C8CC9C1=C(CC(C8COC7(C)O)N9C)C2=CC=CC=C2N1C)C4O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy