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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007367

1-O-[(2S,3S,6S,9S)-9-[(2S,3S,6S,8S)-3-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]oxy-4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-8-yl]-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate

Formula: C58H74N2O19  |  Mol. Weight: 1103.20 g/mol

IUPAC: 1-O-[(2S,3S,6S,9S)-9-[(2S,3S,6S,8S)-3-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]oxy-4-methoxy-9-oxo-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-8-yl]-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate

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Overview

Molecular Formula C58H74N2O19
Molecular Weight 1103.20 g/mol
Canonical SMILES CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5C6CC78C=C(C(C7C9=CC2=C(C=C9CCN8C6=O)OCO2)OC(=O)C(CCCC(C)(C)O)(CC(=O)OC)O)OC)C=C1OC)OCO4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy