Molecule

Pseudospumigin B

AlkaPlorer ID: AK005117

Synonym: None

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

Structure

SMILES: CC(C)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/c1-19(2)16-26(29(43)35-22(18-38)4-3-15-34-31(32)33)37-28(42)25(14-9-20-5-10-23(39)11-6-20)36-30(44)27(41)17-21-7-12-24(40)13-8-21/h5-8,10-13,18-19,22,25-27,39-41H,3-4,9,14-17H2,1-2H3,(H,35,43)(H,36,44)(H,37,42)(H4,32,33,34)/t22?,25-,26+,27?/m1/s1

InChIKey: NGBBDYSACOVTOR-UOIHDSSCSA-N

Reference

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

PubChem CID: 146683752

LOTUS: LTS0047427

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NPAtlas: NPA027426

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