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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017764

Cryptophycin E

Formula: C36H47ClN2O9  |  Mol. Weight: 687.20 g/mol

IUPAC: [(E,2S,3S)-7-[[(2S)-3-(3-chloro-4-methoxyphenyl)-1-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-7-oxo-2-[(2R,3R)-3-phenyloxiran-2-yl]hept-5-en-3-yl] (2S)-2-hydroxy-4-methylpentanoate

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Overview

Molecular Formula C36H47ClN2O9
Molecular Weight 687.20 g/mol
Canonical SMILES CC(C)CC(C(=O)OC(CC=CC(=O)NC(CC1=CC(=C(C=C1)OC)Cl)C(=O)NCC(C)C(=O)OC)C(C)C2C(O2)C3=CC=CC=C3)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy