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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033789

(2R,5S,11S,14R)-11-(hydroxymethyl)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3,6,9,12-tetraoxo-5-propan-2-yl-1,4,7,10,13-pentazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid

Formula: C42H51N9O12  |  Mol. Weight: 873.90 g/mol

IUPAC: (2R,5S,11S,14R)-11-(hydroxymethyl)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3,6,9,12-tetraoxo-5-propan-2-yl-1,4,7,10,13-pentazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid

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Overview

Molecular Formula C42H51N9O12
Molecular Weight 873.90 g/mol
Canonical SMILES CC(C)C1C(=O)NCC(=O)NC(C(=O)NC(CC2=CN(C(C(=O)N1)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5)C6=CC=CC=C26)C(=O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy