None
AlkaPlorer ID: AK324119
Synonym: None
IUPAC Name: N-[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-3-hydroxy-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](CO)C(O)=N[C@H](C(O)=N[C@H](CO)CC(C)C)[C@@H](C)CC
InChI: InChI=1S/C39H73N7O9/c1-11-14-15-16-17-18-31(49)40-21-32(50)41-27(9)34(51)43-29(20-25(6)7)36(53)46-39(10,13-3)38(55)44-30(23-48)35(52)45-33(26(8)12-2)37(54)42-28(22-47)19-24(4)5/h24-30,33,47-48H,11-23H2,1-10H3,(H,40,49)(H,41,50)(H,42,54)(H,43,51)(H,44,55)(H,45,52)(H,46,53)/t26-,27-,28-,29-,30-,33-,39+/m0/s1
InChIKey: AJQVTLBXWHZZTD-GCAMXXLTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma velutinum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 784.0530000000001
TPSA？: 268.59
MolLogP？: 7.196900000000009
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | HL-60 | IC50 | 2000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | LS180 | IC50 | 30000.0 | nM | 10.1021/acs.jnatprod.6b00873 |
| Homo sapiens | MDA-MB-231 | IC50 | 4000.0 | nM | 10.1021/acs.jnatprod.6b00873 |