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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012843

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

Formula: C51H76N8O9S  |  Mol. Weight: 977.30 g/mol

IUPAC: (3S,6S,9S,12S,15S,18S,21S,24S)-3,18-dibenzyl-15-[(2S)-butan-2-yl]-9,21-bis(2-methylpropyl)-12-(2-methylsulfinylethyl)-6-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 C51H76N8O9S
Molecular Weight 977.30 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CC(C)C)CC4=CC=CC=C4)C(C)C)CC(C)C)CCS(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy