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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037399

4,5-dibromo-N-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-2-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-3,4-bis[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-2-yl]oxy]-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-4-yl]methyl]-1H-pyrrole-2-carboxamide

Formula: C44H46Br8N20O9  |  Mol. Weight: 1638.20 g/mol

IUPAC: 4,5-dibromo-N-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-2-[[(1S,2S,3S,4R,5S,6R,10R,12S)-8,14-diamino-3,4-bis[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-2-yl]oxy]-3-[[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]methyl]-6-hydroxy-11-oxa-7,9,13,15-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-8,13-dien-4-yl]methyl]-1H-pyrrole-2-carboxamide

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Overview

Molecular Formula C44H46Br8N20O9
Molecular Weight 1638.20 g/mol
Canonical SMILES C1=C(NC(=C1Br)Br)C(=O)NCC2C(C(C34C2C5(C(N=C(N5)N)OC3N=C(N4)N)O)OC6C(C(C7C68C(N=C(N8)N)OC9C7(NC(=N9)N)O)CNC(=O)C1=CC(=C(N1)Br)Br)CNC(=O)C1=CC(=C(N1)Br)Br)CNC(=O)C1=CC(=C(N1)Br)Br

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy