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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001587

cyclo(-Phe1-Pro1-Pro2-Pro3-Phe2-Phe3-Val-Ile-Ala-)

Formula: C56H73N9O9  |  Mol. Weight: 1016.20 g/mol

IUPAC: (3S,9S,15S,18S,21S,24S,27S,30S,33S)-15,27,30-tribenzyl-21-[(2S)-butan-2-yl]-18-methyl-24-propan-2-yl-1,7,13,16,19,22,25,28,31-nonazatetracyclo[31.3.0.03,7.09,13]hexatriacontane-2,8,14,17,20,23,26,29,32-nonone

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Overview

Molecular Formula C56H73N9O9
Molecular Weight 1016.20 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy