Molecule

Argyrin E

AlkaPlorer ID: AK043720

Synonym: None

IUPAC Name: (4S,7S,13R)-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-13,18-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

Structure

SMILES: C=C1N=C(O)[C@@H](C)N=C(O)CN=C(O)[C@H](CC2=CNC3=C2C(OC)=CC=C3)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)C2=CSC(=N2)CN=C(O)CN(C)C1=O

InChI: InChI=1S/C39H42N10O8S/c1-20-35(52)45-21(2)39(56)49(3)18-32(51)42-17-33-46-29(19-58-33)38(55)48-28(12-22-14-40-25-9-6-5-8-24(22)25)37(54)47-27(36(53)43-16-31(50)44-20)13-23-15-41-26-10-7-11-30(57-4)34(23)26/h5-11,14-15,19-20,27-28,40-41H,2,12-13,16-18H2,1,3-4H3,(H,42,51)(H,43,53)(H,44,50)(H,45,52)(H,47,54)(H,48,55)/t20-,27+,28+/m1/s1

InChIKey: IVTXVXMGLJEYAA-ANFLZCCJSA-N

Reference

Argyrins, Immunosuppressive Cyclic Peptides from Myxobacteria. I. Production, Isolation, Physico-chemical and Biological Properties.

PubChem CID: 11104791

LOTUS: LTS0004025

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NPAtlas: NPA003175

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Gephyra	Pyralidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 810.8939999999999

TPSA？: 269.55

MolLogP？: 5.298200000000003

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Pseudomonas aeruginosa	Pseudomonas aeruginosa	IC50	0.8	ug.mL-1	10.1021/acs.jmedchem.5b01698