Molecule

Halovir J

AlkaPlorer ID: AK328439

Synonym: None

IUPAC Name: [(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentyl] acetate

Structure

SMILES: CCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](COC(C)=O)CC(C)C

InChI: InChI=1S/C44H79N7O9/c1-11-12-13-14-15-16-17-18-19-22-37(54)49-44(9,10)42(59)51-25-20-21-35(51)40(57)47-34(27-30(4)5)39(56)50-43(7,8)41(58)48-33(23-24-36(45)53)38(55)46-32(26-29(2)3)28-60-31(6)52/h29-30,32-35H,11-28H2,1-10H3,(H2,45,53)(H,46,55)(H,47,57)(H,48,58)(H,49,54)(H,50,56)/t32-,33-,34-,35-/m0/s1

InChIKey: MLDLFKPDQMBNAD-BBACVFHCSA-N

Reference

Halovirs I–K, antibacterial and cytotoxic lipopeptaibols from the plant pathogenic fungus Paramyrothecium roridum NRRL 2183

PubChem CID: 169492532

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NPAtlas: NPA033412

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Paramyrothecium roridum	Paramyrothecium	Stachybotryaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 850.1559999999998

TPSA？: 235.2

MolLogP？: 4.063100000000011

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi