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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008191

cyclo[Leu-Met-Pro-Phe-Phe-Trp-Val-Met(O)]

Formula: C55H73N9O9S2  |  Mol. Weight: 1068.40 g/mol

IUPAC: (3S,6S,9S,12S,15S,18S,21S,24S)-18,21-dibenzyl-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-(2-methylsulfanylethyl)-9-(2-methylsulfinylethyl)-12-propan-2-yl-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 C55H73N9O9S2
Molecular Weight 1068.40 g/mol
Canonical SMILES CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCS(=O)C)C(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy