2’,3-(Boc-amino) p-Nitrobenzyloxycarbonyl Des((S)-4-(tert-butyloxycarbonylamino)-2-hydroxybutanoyl) Des(2-hydroxyethyl) Plazomicin

Analyte Name

2',3-(Boc-amino) p-Nitrobenzyloxycarbonyl Des((S)-4-(tert-butyloxycarbonylamino)-2-hydroxybutanoyl) Des(2-hydroxyethyl) Plazomicin

Molecular Formula

C37 H58 N6 O15

Molecular Weight

826.888

Accurate Mass

826.396

SMILES

CNC1[C@@H](O)[C@@H](O[C@H]2[C@@H](N)C[C@H](NC(=O)OC(C)(C)C)[C@H](O[C@H]3OC(=CCC3NC(=O)OC(C)(C)C)CNC(=O)OCc4ccc(cc4)[N+](=O)[O-])[C@@H]2O)OC[C@]1(C)O

InChI

InChI=1S/C37H58N6O15/c1-35(2,3)57-33(47)41-23-14-13-21(16-40-32(46)52-17-19-9-11-20(12-10-19)43(50)51)54-30(23)56-28-24(42-34(48)58-36(4,5)6)15-22(38)27(25(28)44)55-31-26(45)29(39-8)37(7,49)18-53-31/h9-13,22-31,39,44-45,49H,14-18,38H2,1-8H3,(H,40,46)(H,41,47)(H,42,48)/t22-,23?,24-,25+,26+,27-,28-,29?,30+,31+,37-/m0/s1

IUPAC

(4-nitrophenyl)methyl N-[[(2S)-2-[(1S,2R,3S,4S,6S)-4-amino-3-[(2R,3R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-6-yl]methyl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat