Molecule

A-500359 D

AlkaPlorer ID: AK046304

Synonym: None

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

Structure

SMILES: CO[C@H]1[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O[C@@H]1[C@@H](O[C@@H]1C[C@@H](O)C=C(C(O)=N[C@H]2CCC[C@@H](C)N=C2O)O1)C(=N)O

InChI: InChI=1S/C24H33N5O11/c1-10-4-3-5-12(21(34)26-10)27-22(35)13-8-11(30)9-15(38-13)39-19(20(25)33)18-17(37-2)16(32)23(40-18)29-7-6-14(31)28-24(29)36/h6-8,10-12,15-19,23,30,32H,3-5,9H2,1-2H3,(H2,25,33)(H,26,34)(H,27,35)(H,28,31,36)/t10-,11+,12+,15-,16-,17+,18+,19-,23-/m1/s1

InChIKey: KMZLQNUZDFXWBQ-FMNIZJBPSA-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: 10393166

LOTUS: LTS0026786

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NPAtlas: NPA024715

Source

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

Properties Information

Molecule Weight: 567.5520000000004

TPSA？: 241.76

MolLogP？: -0.0121299999999968

Number of H-Donors: 7

Number of H-Acceptors: 13

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi