Acidiphilamide E
AlkaPlorer ID: AK118278
Synonym: None
IUPAC Name: (2S,3S)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)CC(C)C)C(O)=N[C@H](CO)CCSC
InChI: InChI=1S/C25H41N3O5S/c1-6-17(4)23(25(33)26-19(15-29)11-12-34-5)28-24(32)21(27-22(31)13-16(2)3)14-18-7-9-20(30)10-8-18/h7-10,16-17,19,21,23,29-30H,6,11-15H2,1-5H3,(H,26,33)(H,27,31)(H,28,32)/t17-,19-,21-,23-/m0/s1
InChIKey: HIXISXYUWMIRCH-JQIPMYIQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Rugosus | Dytiscidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 495.6860000000003
TPSA？: 138.23000000000002
MolLogP？: 4.747600000000004
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Inhibition | None | % | 10.1021/acs.jnatprod.8b00828 |