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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006563

cyclo[Gln-Thr-Pro-Ile-Ser-Pro-Pro-Tyr-Phe]

Formula: C51H70N10O13  |  Mol. Weight: 1031.20 g/mol

IUPAC: 3-[(3S,9S,12S,15S,21S,24S,27S,30S,33S)-27-benzyl-12-[(2S)-butan-2-yl]-21-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-2,8,11,14,20,23,26,29,32-nonaoxo-1,7,10,13,19,22,25,28,31-nonazatetracyclo[31.3.0.03,7.015,19]hexatriacontan-24-yl]propanamide

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Overview

Molecular Formula C51H70N10O13
Molecular Weight 1031.20 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)N1)C(C)O)CCC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy