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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007956

dimethyl (13Z)-13-ethylidene-3',8,26-trimethylspiro[22-oxa-8,15,26,33-tetrazaundecacyclo[28.5.1.112,18.01,27.02,25.04,23.05,21.07,19.09,15.09,18.028,33]heptatriaconta-2(25),3,5,7(19),20,23-hexaene-31,2'-oxirane]-36,37-dicarboxylate

Formula: C42H48N4O6  |  Mol. Weight: 704.90 g/mol

IUPAC: dimethyl (13Z)-13-ethylidene-3',8,26-trimethylspiro[22-oxa-8,15,26,33-tetrazaundecacyclo[28.5.1.112,18.01,27.02,25.04,23.05,21.07,19.09,15.09,18.028,33]heptatriaconta-2(25),3,5,7(19),20,23-hexaene-31,2'-oxirane]-36,37-dicarboxylate

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Overview

Molecular Formula C42H48N4O6
Molecular Weight 704.90 g/mol
Canonical SMILES CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N(C5=C4C=C6C(=C5)C7=CC8=C(C=C7O6)N(C9C81CCN2C9CC(C1C(=O)OC)C1(C2)C(O1)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy