Molecule

Pseudospumigin A

AlkaPlorer ID: AK005068

Synonym: None

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

Structure

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

InChI: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25-,26?,27-/m1/s1

InChIKey: QACTZPSCGSGUNG-DRMIEUJZSA-N

Reference

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

PubChem CID: 146683751

LOTUS: LTS0163347

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NPAtlas: NPA027425

Source

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

Properties Information

Molecule Weight: 612.7279999999998

TPSA？: 237.43000000000004

MolLogP？: 3.11757

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi