Molecule

Pseudospumigin D

AlkaPlorer ID: AK005195

Synonym: None

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

Structure

SMILES: CC[C@@H](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/c1-3-20(2)27(30(43)35-23(19-38)10-7-17-34-31(32)33)37-28(41)25(16-13-21-8-5-4-6-9-21)36-29(42)26(40)18-22-11-14-24(39)15-12-22/h4-6,8-9,11-12,14-15,19-20,23,25-27,39-40H,3,7,10,13,16-18H2,1-2H3,(H,35,43)(H,36,42)(H,37,41)(H4,32,33,34)/t20-,23?,25?,26?,27-/m1/s1

InChIKey: WVQVWUCJRVUECI-VGXXBVAZSA-N

Reference

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

PubChem CID: 146683754

LOTUS: LTS0184755

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NPAtlas: NPA027428

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