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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006794

methyl (1R,2S,10S,15E,17R,18R)-15-ethylidene-7-[(1S,12S,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4(9),5,7-triene-17-carboxylate

Formula: C44H52N4O7  |  Mol. Weight: 748.90 g/mol

IUPAC: methyl (1R,2S,10S,15E,17R,18R)-15-ethylidene-7-[(1S,12S,14S,15E,18S)-15-ethylidene-18-(hydroxymethyl)-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4(9),5,7-triene-17-carboxylate

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Overview

Molecular Formula C44H52N4O7
Molecular Weight 748.90 g/mol
Canonical SMILES CC=C1CN(C2CC3=C(C(CC1C2(CO)C(=O)OC)C4=CC5=C(C=C4)N(C67C58CCN6CC(=CC)C9C8(C(OC7C9)O)C(=O)OC)C)NC1=CC=CC=C31)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy