geneticin

Molecular Formula: C₂₀H₄₀N₄O₁₀

InChI: InChI=1/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7+,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+/m1/s1

InChIKey: InChIKey=BRZYSWJRSDMWLG-DJWUNRQOBR
SMILES: CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O

CAS number 49863-47-0

Names:
    antibiotic G 418
    GENETICIN
    geneticin
    G 418
    (2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5S)-3,5-dihydroxy-5-methyl-4-methylamino-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-2-(1-hydroxyethyl)oxane-3,4-diol

Registries:
    PubChem CID 123865
    Beilstein =1669188
    CAS 49863-47-0 (from NIST)
    ChEBI 33028
    chemPDB GET
    PubChem ID 10635460