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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012072

(2S)-2-[[(3S,6S,9R,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

Formula: C45H59N7O10  |  Mol. Weight: 858.00 g/mol

IUPAC: (2S)-2-[[(3S,6S,9R,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

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Overview

Molecular Formula C45H59N7O10
Molecular Weight 858.00 g/mol
Canonical SMILES CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NCCCCC(C(=O)N1)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)CC3=CC=CC=C3)C)C)CCC4=CC=C(C=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy