None
AlkaPlorer ID: AK323802
Synonym: None
IUPAC Name: (2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[acetyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H](C(O)=N/C=C\C1=CNC2=CC=CC=C12)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CC1=CC=CC=C1)N(C)C(C)=O
InChI: InChI=1S/C46H67N7O6/c1-14-30(5)40(42(55)47-26-25-35-28-48-37-24-20-19-23-36(35)37)52(12)46(59)41(31(6)15-2)53(13)43(56)32(7)49(9)45(58)39(29(3)4)51(11)44(57)38(50(10)33(8)54)27-34-21-17-16-18-22-34/h16-26,28-32,38-41,48H,14-15,27H2,1-13H3,(H,47,55)/b26-25-/t30-,31-,32-,38+,39-,40-,41-/m0/s1
InChIKey: NKPMMAZJNGZPGE-FQXZLROFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium | Plasmodiidae | Haemosporida | Aconoidasida | Apicomplexa | None | Eukaryota |
Properties Information
Molecule Weight: 814.085
TPSA？: 149.93
MolLogP？: 6.260800000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Hepatocyte | Activity | nan | None | 10.1021/acs.jnatprod.9b00362 |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 90.0 | % | 10.1021/acs.jnatprod.9b00362 |