Oxachelin B
AlkaPlorer ID: AK047720
Synonym: None
IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2R)-5-[formyl(hydroxy)amino]-1-[[3-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxybenzamide
Structure
SMILES: O=CN(O)CCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)C1=CC=CC=C1O)C(=O)NCCC(=O)N[C@@H]1CCCN(O)C1=O
InChI: InChI=1S/C27H39N7O12/c35-13-19(31-23(40)16-5-1-2-8-21(16)38)26(43)32-20(14-36)25(42)30-17(6-3-11-33(45)15-37)24(41)28-10-9-22(39)29-18-7-4-12-34(46)27(18)44/h1-2,5,8,15,17-20,35-36,38,45-46H,3-4,6-7,9-14H2,(H,28,41)(H,29,39)(H,30,42)(H,31,40)(H,32,43)/t17-,18-,19+,20+/m1/s1
InChIKey: FDGWTXKXYPUPIF-ZRNYENFQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. RM-14-6 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 653.6460000000001
TPSA？: 287.27
MolLogP？: -3.924699999999991
Number of H-Donors: 10
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Micrococcus luteus | Micrococcus luteus | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Salmonella enterica | Salmonella enterica | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |
| None | Unchecked | Activity | None | None | 10.1021/acs.jnatprod.6b00948 |