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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003709

cyclo[Asp-Ile-Ser-Ile-Tyr-Tyr-Pro-Gly]

Formula: C44H60N8O13  |  Mol. Weight: 909.00 g/mol

IUPAC: 2-[(3S,6S,9S,12S,15S,18S,24S)-9,15-bis[(2S)-butan-2-yl]-12-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]acetic acid

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Overview

Molecular Formula C44H60N8O13
Molecular Weight 909.00 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)N1)CC(=O)O)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)C(C)CC)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy