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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035091

Ac-Phe-Ser-Thr(1)-Tyr-Lys(2)-Tyr-Pro-Ser-Asp(1)-Phe-Glu(OMe)-Asp(2)-Phe-OH

Formula: C82H100N14O24  |  Mol. Weight: 1665.70 g/mol

IUPAC: (2S)-2-[[(1S,4S,7S,10S,18S,21S,27S,30S,36R,37S,40S)-37-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-benzyl-30-(hydroxymethyl)-21,40-bis[(4-hydroxyphenyl)methyl]-7-(3-methoxy-3-oxopropyl)-36-methyl-2,5,8,12,19,22,28,31,34,38,41-undecaoxo-35-oxa-3,6,9,13,20,23,29,32,39,42-decazatricyclo[16.14.10.023,27]dotetracontane-10-carbonyl]amino]-3-phenylpropanoic acid

Overview

Molecular Formula C82H100N14O24
Molecular Weight 1665.70 g/mol
Canonical SMILES CC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O1)NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC2=O)CC4=CC=C(C=C4)O)CO)CC5=CC=CC=C5)CCC(=O)OC)C(=O)NC(CC6=CC=CC=C6)C(=O)O)CC7=CC=C(C=C7)O)NC(=O)C(CO)NC(=O)C(CC8=CC=CC=C8)NC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy