(2R)-2-{[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl]formamido}-3-methylbutanoic acid
AlkaPlorer ID: AK042270
Synonym: None
IUPAC Name: (2R)-2-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-3-methylbutanoic acid
Structure
SMILES: CC[C@H]1C=C(C(O)=N[C@@H](C(=O)O)C(C)C)[C@H]2CCC(=O)[C@H]2C1
InChI: InChI=1S/C17H25NO4/c1-4-10-7-12-11(5-6-14(12)19)13(8-10)16(20)18-15(9(2)3)17(21)22/h8-12,15H,4-7H2,1-3H3,(H,18,20)(H,21,22)/t10-,11+,12+,15-/m1/s1
InChIKey: MOJHSYLNAXIDLC-OXJKWZBOSA-N
Reference
Coronatine analogues produced by Xanthomonas campestris pv Phormiicola
PubChem CID: 162866288
LOTUS: LTS0241698
SuperNatural Ⅲ: SN0231022-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas syringae | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 307.39000000000004
TPSA？: 86.96000000000001
MolLogP？: 3.003700000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|