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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010336

(2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid

Formula: C29H37ClN2O8  |  Mol. Weight: 577.10 g/mol

IUPAC: (2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid

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Overview

Molecular Formula C29H37ClN2O8
Molecular Weight 577.10 g/mol
Canonical SMILES CC(CNC(=O)C(CC1=CC(=C(C=C1)OC)Cl)NC(=O)C=CCC(C(C)C(C(C2=CC=CC=C2)O)O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy