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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028125

Cinnamomin

Formula: C100H168N26O37S  |  Mol. Weight: 2358.60 g/mol

IUPAC: 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[2-[2-[[2-[[5-amino-2-[[5-amino-2-[[2-[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[3-hydroxy-1-[(1-hydroxy-3-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Overview

Molecular Formula C100H168N26O37S
Molecular Weight 2358.60 g/mol
Canonical SMILES CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C=O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C(C)O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy