None
AlkaPlorer ID: AK324120
Synonym: None
IUPAC Name: N-[2-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]octanamide
Structure
SMILES: CCCCCCCC(O)=NCC(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(O)=N[C@@H](C)C(O)=N[C@H](C(O)=N[C@H](CO)CC(C)C)[C@@H](C)CC
InChI: InChI=1S/C38H71N7O8/c1-12-14-15-16-17-18-30(47)39-21-31(48)40-26(8)33(49)43-29(20-24(5)6)35(51)45-38(10,11)37(53)41-27(9)34(50)44-32(25(7)13-2)36(52)42-28(22-46)19-23(3)4/h23-29,32,46H,12-22H2,1-11H3,(H,39,47)(H,40,48)(H,41,53)(H,42,52)(H,43,49)(H,44,50)(H,45,51)/t25-,26-,27-,28-,29-,32-/m0/s1
InChIKey: VJLGRRKHNAAZDT-CEQHRARPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma velutinum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 754.027
TPSA？: 248.36
MolLogP？: 7.834400000000008
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 17000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | HL-60 | IC50 | 16000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | LS180 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | MDA-MB-231 | IC50 | 16000.0 | nM | 10.1021/acs.jnatprod.6b00873 |