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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015767

H-Tyr(SO3H)-Ile-Tyr(SO3H)-Thr-Gln-OH

Formula: C33H46N6O16S2  |  Mol. Weight: 846.90 g/mol

IUPAC: (2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(4-sulfooxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

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Overview

Molecular Formula C33H46N6O16S2
Molecular Weight 846.90 g/mol
Canonical SMILES CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)OS(=O)(=O)O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy