Molecule

(2S)-2-{[(3aR,6R,7aR)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroinden-4-yl]formamido}-3-methylbutanoic acid

AlkaPlorer ID: AK042269

Synonym: None

IUPAC Name: (2S)-2-[[(3aR,6R,7aR)-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-BLTAXRJOSA-N

Reference

Isolation and structural characterization of 2-[1-oxo-2-cyclopenten-2-ylmethyl]-butanoic acid, a polyketide product of coronatine-producing Pseudomonas spp.

PubChem CID: 162866287

LOTUS: LTS0010616

SuperNatural Ⅲ: SN0231022-02

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