Albicidin
AlkaPlorer ID: AK035316
Synonym: None
IUPAC Name: 4-[[4-[[4-[[(2S)-3-cyano-2-[[4-[[(E)-3-(4-hydroxyphenyl)-2-methylprop-2-enoyl]amino]benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid
Structure
SMILES: COC1=C(O)C(C(=O)O)=CC=C1N=C(O)C1=CC=C(NC(=O)C2=CC=C(NC(=O)[C@H](CC#N)NC(=O)C3=CC=C(NC(=O)/C(C)=C/C4=CC=C(O)C=C4)C=C3)C=C2)C(OC)=C1O
InChI: InChI=1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1
InChIKey: NZSWNNDHPOTJNH-VEJILBAHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xanthomonas albilineans | Xanthomonas | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 842.8180000000002
TPSA？: 289.23
MolLogP？: 6.100180000000005
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jmedchem.5b01698 |