Molecule

Halovir I

AlkaPlorer ID: AK328438

Synonym: None

IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-1-[2-(dodecanoylamino)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide

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](CO)CC(C)C

InChI: InChI=1S/C42H77N7O8/c1-10-11-12-13-14-15-16-17-18-21-35(52)47-42(8,9)40(57)49-24-19-20-33(49)38(55)45-32(26-29(4)5)37(54)48-41(6,7)39(56)46-31(22-23-34(43)51)36(53)44-30(27-50)25-28(2)3/h28-33,50H,10-27H2,1-9H3,(H2,43,51)(H,44,53)(H,45,55)(H,46,56)(H,47,52)(H,48,54)/t30-,31-,32-,33-/m0/s1

InChIKey: WUQNKGXARHUEER-YRCZKMHPSA-N

Reference

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

PubChem CID: 169492530

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NPAtlas: NPA033411

Source

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

Properties Information

Molecule Weight: 808.1189999999999

TPSA？: 229.13

MolLogP？: 3.492300000000009

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi