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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035782

2,5-di-S-Glutathionyl caftaric acid

Formula: C33H42N6O21S2  |  Mol. Weight: 922.80 g/mol

IUPAC: 2-[(E)-3-[2,5-bis[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-hydroxybutanedioic acid

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Overview

Molecular Formula C33H42N6O21S2
Molecular Weight 922.80 g/mol
Canonical SMILES C1=C(C(=C(C(=C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C=CC(=O)OC(C(C(=O)O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy