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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009279

[(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate

Formula: C39H63N7O18S  |  Mol. Weight: 950.00 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(1S,5S,6R,8R,10R,12S)-6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R)-2-[[(2S)-2-methoxy-3-sulfooxypropanoyl]amino]-4-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexanoate

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Overview

Molecular Formula C39H63N7O18S
Molecular Weight 950.00 g/mol
Canonical SMILES CCCCCC(=O)OCC1C(C(C(C(O1)OC2CC3C(C4(C2)C(C(N3C(=O)C(CC(C)C)NC(=O)C(COS(=O)(=O)O)OC)C(=O)NCCC5=CCN(C5)C(=N)N)NC(=O)O4)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy