Molecule

Barbamide

AlkaPlorer ID: AK001201

Synonym: '', 'Barbamide'

IUPAC Name: (E,5S)-6,6,6-trichloro-3-methoxy-N,5-dimethyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide

Structure

SMILES: CO/C(=C/C(=O)N(C)[C@@H](CC1=CC=CC=C1)C1=NC=CS1)C[C@H](C)C(Cl)(Cl)Cl

InChI: InChI=1S/C20H23Cl3N2O2S/c1-14(20(21,22)23)11-16(27-3)13-18(26)25(2)17(19-24-9-10-28-19)12-15-7-5-4-6-8-15/h4-10,13-14,17H,11-12H2,1-3H3/b16-13+/t14-,17-/m0/s1

InChIKey: UGNRFJOMRFTXSQ-ITRHSTPOSA-N

Reference

Biosynthetic Pathway and Origin of the Chlorinated Methyl Group in Barbamide and Dechlorobarbamide, Metabolites from the Marine Cyanobacterium Lyngbya majuscula

PubChem CID: 11465376

LOTUS: LTS0049181

SuperNatural Ⅲ: SN0369831-04

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lyngbya majuscula	Lyngbya	Oscillatoriaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 461.8420000000001

TPSA？: 42.43

MolLogP？: 5.812000000000005

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi