Mollamide E

AlkaPlorer ID: AK306873

Synonym: None

IUPAC Name: 2-benzyl-11-(hydroxymethyl)-17-[1-(2-methylbut-3-en-2-yloxy)ethyl]-14-(2-methylpropyl)-22-thia-3,9,12,15,18,23-hexazatricyclo[18.2.1.05,9]tricos-1(23)-ene-4,10,13,16,19-pentone

Structure

SMILES: C=CC(C)(C)OC(C)C1NC(=O)C2CSC(=N2)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC(C)C)NC1=O

copy

InChI: InChI=1S/C35H50N6O7S/c1-7-35(5,6)48-21(4)28-32(46)36-23(16-20(2)3)29(43)38-25(18-42)34(47)41-15-11-14-27(41)31(45)37-24(17-22-12-9-8-10-13-22)33-39-26(19-49-33)30(44)40-28/h7-10,12-13,20-21,23-28,42H,1,11,14-19H2,2-6H3,(H,36,46)(H,37,45)(H,38,43)(H,40,44)

copy

InChIKey: OOYFLPWTUQXPSY-UHFFFAOYSA-N

copy

Reference

PubChem CID: 77139719

COCONUT: CNP0236232.1

Properties Information

Molecule Weight: 698.8870000000002

TPSA: 178.52999999999997

MolLogP: 1.094900000000005

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information