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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023634

Nummularine A

Formula: C36H49N5O6  |  Mol. Weight: 647.80 g/mol

IUPAC: N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(methylamino)-3-phenylpropanamide

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Overview

Molecular Formula C36H49N5O6
Molecular Weight 647.80 g/mol
Canonical SMILES CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy