None
AlkaPlorer ID: AK324121
Synonym: None
IUPAC Name: N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-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-oxobutan-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)=N[C@](C)(CC)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/C39H73N7O8/c1-12-15-16-17-18-19-31(48)40-22-32(49)41-27(9)34(50)44-30(21-25(6)7)36(52)46-39(11,14-3)38(54)42-28(10)35(51)45-33(26(8)13-2)37(53)43-29(23-47)20-24(4)5/h24-30,33,47H,12-23H2,1-11H3,(H,40,48)(H,41,49)(H,42,54)(H,43,53)(H,44,50)(H,45,51)(H,46,52)/t26-,27-,28-,29-,30-,33-,39+/m0/s1
InChIKey: RTQHKMUSJFULIP-GCAMXXLTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma velutinum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 768.0540000000001
TPSA？: 248.36
MolLogP？: 8.224500000000008
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 | 4000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | HL-60 | IC50 | 4000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | LS180 | IC50 | 7000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | MDA-MB-231 | IC50 | 5000.0 | nM | 10.1021/acs.jnatprod.6b00873 |