BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000895

methyl (2R,5R,6S,8S,9S,10R)-14-[(1R,9S,12R,13Z,18R)-13-ethylidene-4-methoxy-18-methoxycarbonyl-6-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-trien-5-yl]-15-methoxy-6,18-dimethyl-3-(2-methylpropanoyl)-7-oxa-3,18-diazapentacyclo[9.7.0.02,8.05,9.012,17]octadeca-1(11),12,14,16-tetraene-10-carboxylate

Formula: C46H56N4O8  |  Mol. Weight: 793.00 g/mol

IUPAC: methyl (2R,5R,6S,8S,9S,10R)-14-[(1R,9S,12R,13Z,18R)-13-ethylidene-4-methoxy-18-methoxycarbonyl-6-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-trien-5-yl]-15-methoxy-6,18-dimethyl-3-(2-methylpropanoyl)-7-oxa-3,18-diazapentacyclo[9.7.0.02,8.05,9.012,17]octadeca-1(11),12,14,16-tetraene-10-carboxylate

3D View Find Similar

Overview

Molecular Formula C46H56N4O8
Molecular Weight 793.00 g/mol
Canonical SMILES CC=C1CN2CCC34C2(CCC1C3C(=O)OC)NC5=C(C(=C(C=C45)OC)C6=C(C=C7C(=C6)C8=C(N7C)C9C1C(C8C(=O)OC)C(CN9C(=O)C(C)C)C(O1)C)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy