Fimsbactin B
AlkaPlorer ID: AK077139
Synonym: None
IUPAC Name: [(2S)-3-[4-[acetyl(hydroxy)amino]butylamino]-2-[[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate
Structure
SMILES: CC(=O)N(O)CCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@H]1N=C(C2=CC=CC(O)=C2O)O[C@@H]1C
InChI: InChI=1S/C27H32N4O11/c1-14-21(30-26(42-14)16-7-5-9-19(33)22(16)35)25(38)29-18(24(37)28-11-3-4-12-31(40)15(2)32)13-41-27(39)17-8-6-10-20(34)23(17)36/h5-10,14,18,21,33-36,40H,3-4,11-13H2,1-2H3,(H,28,37)(H,29,38)/t14-,18+,21+/m1/s1
InChIKey: UEUUKYCTOZDARB-IBZMOEQTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter | Moraxellaceae | Moraxellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 588.5700000000003
TPSA？: 234.53
MolLogP？: 2.199399999999999
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|