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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027346

magnesium;(E)-[22-(2-carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate

Formula: C35H32MgN4O6  |  Mol. Weight: 629.00 g/mol

IUPAC: magnesium;(E)-[22-(2-carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxo-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10,13(25),14,16,18(24),19-decaen-12-ylidene]methanolate

Overview

Molecular Formula C35H32MgN4O6
Molecular Weight 629.00 g/mol
Canonical SMILES CCC1=C2C=C3C(=C4C(=O)C(C(=C4[N-]3)C5=NC(=CC6=NC(=CC(=N2)C1=C[O-])C(=C6C)C=C)C(C5CCC(=O)O)C)C(=O)OC)C.[Mg+2]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy