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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008595

cyclo[Ile-Met-Leu-Met-Pro-Phe-Phe-Trp]

Formula: C56H75N9O8S2  |  Mol. Weight: 1066.40 g/mol

IUPAC: (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-12-[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3,9-bis(2-methylsulfanylethyl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone

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Overview

Molecular Formula C56H75N9O8S2
Molecular Weight 1066.40 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCSC)CC(C)C)CCSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy