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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033692

(2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

Formula: C30H34N2O17  |  Mol. Weight: 694.60 g/mol

IUPAC: (2S)-4-[(E)-2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

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Overview

Molecular Formula C30H34N2O17
Molecular Weight 694.60 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C(=C2)CC(N3C=CC4=CC(=NC(C4)C(=O)O)C(=O)O)C(=O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy