Molecule

Pseudospumigin C

AlkaPlorer ID: AK005146

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]-3-methylbutanamide

Structure

SMILES: CC(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/C30H42N6O7/c1-18(2)26(29(43)34-21(17-37)4-3-15-33-30(31)32)36-27(41)24(14-9-19-5-10-22(38)11-6-19)35-28(42)25(40)16-20-7-12-23(39)13-8-20/h5-8,10-13,17-18,21,24-26,38-40H,3-4,9,14-16H2,1-2H3,(H,34,43)(H,35,42)(H,36,41)(H4,31,32,33)/t21?,24-,25?,26+/m1/s1

InChIKey: ZSCHPQBYWNYITD-RWLGUYTISA-N

Reference

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

PubChem CID: 146683753

LOTUS: LTS0043154

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NPAtlas: NPA027427

Source

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

Properties Information

Molecule Weight: 598.7009999999999

TPSA？: 237.43000000000004

MolLogP？: 2.7274700000000003

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi