Molecule

A-500359 C

AlkaPlorer ID: AK046293

Synonym: None

IUPAC Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide

Structure

SMILES: C[C@@H]1CCC[C@H](N=C(O)C2=C[C@H](O)[C@H](O)[C@@H](O[C@@H](C(=N)O)[C@H]3O[C@@H](N4C=CC(O)=NC4=O)[C@H](O)[C@@H]3O)O2)C(O)=N1

InChI: InChI=1S/C23H31N5O12/c1-8-3-2-4-9(19(35)25-8)26-20(36)11-7-10(29)13(31)22(38-11)40-17(18(24)34)16-14(32)15(33)21(39-16)28-6-5-12(30)27-23(28)37/h5-10,13-17,21-22,29,31-33H,2-4H2,1H3,(H2,24,34)(H,25,35)(H,26,36)(H,27,30,37)/t8-,9+,10+,13+,14+,15-,16+,17-,21-,22-/m1/s1

InChIKey: BFXPEJKKPCBJOT-PQXOLBNDSA-N

Reference

Studies on Novel Bacterial Translocase I Inhibitors, A-500359s. I. Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Structure Elucidation of A-500359 A, C, D and G.

PubChem CID: 10257415

LOTUS: LTS0201095

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NPAtlas: NPA024714

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces griseus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 569.5240000000001

TPSA？: 272.99

MolLogP？: -1.6954299999999964

Number of H-Donors: 9

Number of H-Acceptors: 14

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi