Molecule

Agrochelin

AlkaPlorer ID: AK283587

Synonym: None

IUPAC Name: 3-hydroxy-3-[2-[2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2,2-dimethylpropanoic acid

Structure

SMILES: CCCCCC1=CC=CC(O)=C1C1=NC(C2SCC(C(O)C(C)(C)C(=O)O)N2C)CS1

InChI: InChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)

InChIKey: QZBCDLLHQSDFIG-UHFFFAOYSA-N

Reference

Agrochelin, a New Cytotoxic Antibiotic from a Marine Agrobacterium Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Biological Activity.

PubChem CID: 135762115

CAS: 247115-74-8

LOTUS: LTS0014421

COCONUT: CNP0247171.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Agrobacterium sp.	Agrobacterium	Rhizobiaceae	Hyphomicrobiales	Alphaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 466.66900000000027

TPSA？: 93.36

MolLogP？: 3.831900000000002

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi