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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000093

cyclo-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val)

Formula: C57H85N9O9  |  Mol. Weight: 1040.30 g/mol

IUPAC: (3S,9S,12S,15S,18S,21S,24S,27S,30S)-24,27-dibenzyl-15,18-bis[(2S)-butan-2-yl]-12,21-bis(2-methylpropyl)-9-propan-2-yl-1,7,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.03,7]tritriacontane-2,8,11,14,17,20,23,26,29-nonone

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Overview

Molecular Formula C57H85N9O9
Molecular Weight 1040.30 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)C(C)C)CC(C)C)C(C)CC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy