Not named
AlkaPlorer ID: AK067879
Synonym: '', 'Amamistatin A'
IUPAC Name: [(3S)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxy-5-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
Structure
SMILES: CCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)N=C(O)C1=C(C)OC(C2=CC(OC)=CC=C2O)=N1)C(C)(C)C(O)=N[C@H]1CCCCN(O)C1=O
InChI: InChI=1S/C37H55N5O11/c1-6-7-8-9-10-17-30(37(3,4)36(48)39-27-15-12-14-21-42(50)34(27)46)53-35(47)28(16-11-13-20-41(49)23-43)38-32(45)31-24(2)52-33(40-31)26-22-25(51-5)18-19-29(26)44/h18-19,22-23,27-28,30,44,49-50H,6-17,20-21H2,1-5H3,(H,38,45)(H,39,48)/t27-,28+,30-/m0/s1
InChIKey: OAZPHWSNISPLNR-LXQNXJGFSA-N
Reference
PubChem CID: 135430484
LOTUS: LTS0042462
SuperNatural Ⅲ: SN0260541-01
{NPAtlas: NPA018896
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia asteroides | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 745.8709999999999
TPSA？: 228.05
MolLogP？: 6.080620000000005
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 560.0 | nM | 10.1016/j.ejmech.2018.08.073 |
| Homo sapiens | MCF7 | IC50 | 480.0 | nM | 10.1016/j.ejmech.2018.08.073 |
| Homo sapiens | MKN-45 | IC50 | 240.0 | nM | 10.1016/j.ejmech.2018.08.073 |
| Mus musculus | P388 | IC50 | 0.015 | ug.mL-1 | 10.1016/j.bmcl.2011.01.084 |