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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031107

cyclo[Ile-Met-D-Leu-D-aIle-D-Pro-Pro-D-Phe-D-Phe-D-Val]

Formula: C56H83N9O9S  |  Mol. Weight: 1058.40 g/mol

IUPAC: (3R,9R,12R,15S,18S,21R,24R,27R,30S)-24,27-dibenzyl-9,18-bis[(2S)-butan-2-yl]-12-(2-methylpropyl)-15-(2-methylsulfanylethyl)-21-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 C56H83N9O9S
Molecular Weight 1058.40 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)C(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)C(C)CC)CC(C)C)CCSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy