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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000449

L-Tyrosine, L-valyl-L-alanyl-L-tryptophyl-L-tryptophyl-L-methionyl-

Formula: C44H54N8O8S  |  Mol. Weight: 855.00 g/mol

IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

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Overview

Molecular Formula C44H54N8O8S
Molecular Weight 855.00 g/mol
Canonical SMILES CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCSC)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy