andrimid
AlkaPlorer ID: AK019052
Synonym: None
IUPAC Name: (2E,4E,6E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]octa-2,4,6-trienamide
Structure
SMILES: C/C=C/C=C/C=C/C(O)=N[C@@H](CC(O)=N[C@H](C(=O)[C@@H]1C(=O)N=C(O)[C@H]1C)C(C)C)C1=CC=CC=C1
InChI: InChI=1S/C27H33N3O5/c1-5-6-7-8-12-15-21(31)28-20(19-13-10-9-11-14-19)16-22(32)29-24(17(2)3)25(33)23-18(4)26(34)30-27(23)35/h5-15,17-18,20,23-24H,16H2,1-4H3,(H,28,31)(H,29,32)(H,30,34,35)/b6-5+,8-7+,15-12+/t18-,20-,23+,24-/m0/s1
InChIKey: OHDXGZAYYBMHCY-QSUIEZAASA-N
Reference
PubChem CID: 636857
CAS: 108868-95-7
LOTUS: LTS0249333
SuperNatural Ⅲ: SN0265300-05
NPASS: NPC247089
{NPAtlas: NPA015339
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterobacter sp. | Enterobacter | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 479.57700000000017
TPSA？: 131.91
MolLogP？: 5.062000000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | IC50 | 13.0 | nM | 10.1016/j.bmcl.2004.12.002 |
| Escherichia coli | Escherichia coli | MIC | 32.0 | ug.mL-1 | 10.1016/j.bmcl.2004.12.002 |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1016/j.bmcl.2004.12.002 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 305.0 | nM | 10.1016/j.bmcl.2004.12.002 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1016/j.bmcl.2004.12.002 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 8.0 | ug.mL-1 | 10.1016/j.bmcl.2004.12.002 |