Molecule

A-500359 E

AlkaPlorer ID: AK011096

Synonym: None

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

Structure

SMILES: COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](O[C@H](C(=N)O)[C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2OC)O1

InChI: InChI=1S/C18H23N3O12/c1-29-11-10(25)15(21-4-3-8(23)20-18(21)28)32-12(11)13(14(19)26)33-17-9(24)6(22)5-7(31-17)16(27)30-2/h3-6,9-13,15,17,22,24-25H,1-2H3,(H2,19,26)(H,20,23,28)/t6-,9+,10-,11+,12+,13+,15-,17+/m1/s1

InChIKey: PURGDQCDJJEGGD-HXZZQYQQSA-N

Reference

Studies on Novel Bacterial Translocase I Inhibitors, A-500359s. III. Deaminocaprolactam Derivatives of Capuramycin: A-500359 E, F, H, M-1 and M-2.

PubChem CID: 139584820

LOTUS: LTS0224307

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NPAtlas: NPA006180

Source

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

Properties Information

Molecule Weight: 473.3910000000002

TPSA？: 223.11

MolLogP？: -2.722329999999996

Number of H-Donors: 6

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi