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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003710

cyclo[Ala-Val-Pro-Met(O)-Tyr-Gly-Thr-Val]

Formula: C38H58N8O11S  |  Mol. Weight: 835.00 g/mol

IUPAC: (3S,6S,9S,12S,18S,21S,24S)-12-[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-6-methyl-21-(2-methylsulfinylethyl)-3,9-di(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 C38H58N8O11S
Molecular Weight 835.00 g/mol
Canonical SMILES CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)C(C)C)C(C)O)CC3=CC=C(C=C3)O)CCS(=O)C)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy