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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026915

(2R,5E,7R,8S,19S,22E,23S,24S,36R)-5,22-di(ethylidene)-36-methoxycarbonyl-7-methyl-7-oxido-17,20,25-triaza-7-azoniadecacyclo[18.11.2.12,10.14,8.119,23.01,18.011,16.018,25.026,31.017,35]hexatriaconta-10(35),11,13,15,26,28,30-heptaene-24-carboxylic acid

Formula: C40H44N4O5  |  Mol. Weight: 660.80 g/mol

IUPAC: (2R,5E,7R,8S,19S,22E,23S,24S,36R)-5,22-di(ethylidene)-36-methoxycarbonyl-7-methyl-7-oxido-17,20,25-triaza-7-azoniadecacyclo[18.11.2.12,10.14,8.119,23.01,18.011,16.018,25.026,31.017,35]hexatriaconta-10(35),11,13,15,26,28,30-heptaene-24-carboxylic acid

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Overview

Molecular Formula C40H44N4O5
Molecular Weight 660.80 g/mol
Canonical SMILES CC=C1CN2CCC34C5CC6C(C(CC7=C5N(C38C2CC1C(N8C9=CC=CC=C49)C(=O)O)C1=CC=CC=C71)[N+](CC6=CC)(C)[O-])C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy