Molecule

Pseudospumigin E

AlkaPlorer ID: AK005274

Synonym: None

IUPAC Name: (2S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-phenylbutanoyl]amino]-4-methylpentanamide

Structure

SMILES: CC(C)C[C@H](N=C(O)C(CCC1=CC=CC=C1)N=C(O)C(O)CC1=CC=C(O)C=C1)C(O)=NC(C=O)CCCNC(=N)N

InChI: InChI=1S/C31H44N6O6/c1-20(2)17-26(29(42)35-23(19-38)9-6-16-34-31(32)33)37-28(41)25(15-12-21-7-4-3-5-8-21)36-30(43)27(40)18-22-10-13-24(39)14-11-22/h3-5,7-8,10-11,13-14,19-20,23,25-27,39-40H,6,9,12,15-18H2,1-2H3,(H,35,42)(H,36,43)(H,37,41)(H4,32,33,34)/t23?,25?,26-,27?/m0/s1

InChIKey: CFKHCDRISBRUFQ-COKUGGSTSA-N

Reference

Production of High Amounts of Hepatotoxin Nodularin and New Protease Inhibitors Pseudospumigins by the Brazilian Benthic Nostoc sp. CENA543

PubChem CID: 146683755

LOTUS: LTS0003308

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NPAtlas: NPA027429

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nostoc sp. CENA543	Nostoc	Nostocaceae	Nostocales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 596.7289999999999

TPSA？: 217.2

MolLogP？: 3.411970000000001

Number of H-Donors: 8

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi