Viomycin Sulfate Hydrate

Analyte Name

Viomycin Sulfate Hydrate

Molecular Formula

C25H43N13O10 • x(H2SO4) • y(H2O)

Molecular Weight

801.78378

Accurate Mass

801.3035

SMILES

O=C([C@H](CNC1=O)NC(C[C@H](CCCN)N)=O)N[C@H](C(N[C@@H](CO)C(N/C(C(N[C@H]1[C@H]2C[C@@H](NC(N2)=N)O)=O)=C\NC(N)=O)=O)=O)CO.O=S(O)(O)=O.O

InChI

InChI=1S/C25H43N13O10.H2O4S.H2O/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43;1-5(2,3)4;/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48);(H2,1,2,3,4);1H2/b13-7-;;/t10-,11+,12-,14-,15-,17-,18-;;/m0../s1

IUPAC

(3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-3-[(4R,6S)-6-hydroxy-2-imino-hexahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide;sulfuric acid;hydrate

Alternate CAS Number

32988-50-4

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat