Molecule

Veraguamide K

AlkaPlorer ID: AK317461

Synonym: None

IUPAC Name: ethyl 2-[[1-[2-[2-[[2-[(8-bromo-3-hydroxy-2-methyloct-7-ynoyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoate

Structure

SMILES: CCOC(=O)C(C(C)C)N(C)C(=O)C1CCCN1C(=O)C(OC(=O)C(C(C)C)N(C)C(=O)C(N=C(O)C(C)C(O)CCCC#CBr)C(C)C)C(C)CC

InChI: InChI=1S/C39H65BrN4O9/c1-13-26(9)33(37(49)44-22-18-19-28(44)35(47)42(11)31(24(5)6)38(50)52-14-2)53-39(51)32(25(7)8)43(12)36(48)30(23(3)4)41-34(46)27(10)29(45)20-16-15-17-21-40/h23-33,45H,13-16,18-20,22H2,1-12H3,(H,41,46)

InChIKey: LUHSXKWLOOLDHE-UHFFFAOYSA-N

Reference

Cytotoxic Veraguamides, Alkynyl Bromide-Containing Cyclic Depsipeptides from the Marine Cyanobacterium cf. <i>Oscillatoria margaritifera</i>

PubChem CID: 53262801

LOTUS: LTS0229528

COCONUT: CNP0352878.2

{

NPAtlas: NPA019839

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Margaritifera	Margaritiferidae	Unionida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 813.8719999999998

TPSA？: 166.35

MolLogP？: 4.968600000000005

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi