Molecule

Argyrin B

AlkaPlorer ID: AK036036

Synonym: None

IUPAC Name: (4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18,22-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](CC)N=C(O)CN=C(O)[C@H](CC2=CNC3=CC=CC(OC)=C23)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)C2=CSC(=N2)[C@@H](C)N=C(O)CN(C)C1=O

InChI: InChI=1S/C41H46N10O8S/c1-6-26-37(55)46-22(3)41(58)51(4)19-34(53)45-21(2)40-50-31(20-60-40)39(57)49-30(14-23-16-42-27-11-8-7-10-25(23)27)38(56)48-29(36(54)44-18-33(52)47-26)15-24-17-43-28-12-9-13-32(59-5)35(24)28/h7-13,16-17,20-21,26,29-30,42-43H,3,6,14-15,18-19H2,1-2,4-5H3,(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,48,56)(H,49,57)/t21-,26-,29+,30+/m1/s1

InChIKey: OVJDNZFLEREPKG-VPMCBBNJSA-N

Reference

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

PubChem CID: 9940787

LOTUS: LTS0242065

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NPAtlas: NPA011969

Source

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

Properties Information

Molecule Weight: 838.9479999999999

TPSA？: 269.55

MolLogP？: 6.249300000000006

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	0.08	ug.mL-1	10.1021/acs.jmedchem.5b01698