Halovir A
AlkaPlorer ID: AK001079
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-2-[[2-[[(2S,4R)-4-hydroxy-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
Structure
SMILES: CCCCCCCCCCCCCC(O)=NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(O)=NC(CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](CO)CC(C)C)C(C)C
InChI: InChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)/t32-,33+,34-,35?,36-,39-/m0/s1
InChIKey: GRJSOZDXIUZXEW-PFTKNCRBSA-N
Reference
Halovirs A–E, new antiviral agents from a marine-Derived fungus of the genus Scytalidium
PubChem CID: 139291867
LOTUS: LTS0040728
{NPAtlas: NPA001541
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytalidium sp. | Scytalidium | None | None | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 866.199
TPSA？: 267.79999999999995
MolLogP？: 8.740770000000003
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|