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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035090

Ac-Phe-Ser-Thr-Tyr-Lys(1)-Tyr-Pro-Ser-Asp-Phe-Glu(OMe)(OMe)-Asp(1)-Phe-OH

Formula: C82H102N14O25  |  Mol. Weight: 1683.80 g/mol

IUPAC: (2S)-2-[[(3S,6S,14S,17S,20S,23S,26S,29S)-6-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-20-benzyl-23-(carboxymethyl)-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxopropyl)-2,5,12,16,19,22,25,28-octaoxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontane-14-carbonyl]amino]-3-phenylpropanoic acid

Overview

Molecular Formula C82H102N14O25
Molecular Weight 1683.80 g/mol
Canonical SMILES CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC2CCCCNC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC2=O)CC4=CC=C(C=C4)O)CO)CC(=O)O)CC5=CC=CC=C5)CCC(=O)OC)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CO)NC(=O)C(CC7=CC=CC=C7)NC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy