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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023622

Gitalin (amorphous)

Formula: C31H56N8O10  |  Mol. Weight: 700.80 g/mol

IUPAC: (2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid

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Overview

Molecular Formula C31H56N8O10
Molecular Weight 700.80 g/mol
Canonical SMILES CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)CN

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Disease Associations