Analyte Name

2',3-(Boc-amino) N-Boc p-Nitrobenzyloxycarbonyl Des(2-hydroxyethyl) Plazomicin

CAS Number

2306236-35-9

Molecular Formula

C46 H73 N7 O19

Molecular Weight

1028.107

Accurate Mass

1027.496

SMILES

CNC1[C@@H](O)[C@@H](O[C@H]2[C@H](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)NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)OC[C@]1(C)O

InChI

InChI=1S/C46H73N7O19/c1-43(2,3)70-40(59)48-19-18-30(54)36(57)50-28-20-29(52-42(61)72-45(7,8)9)34(31(55)33(28)69-38-32(56)35(47-11)46(10,62)23-66-38)68-37-27(51-41(60)71-44(4,5)6)17-16-26(67-37)21-49-39(58)65-22-24-12-14-25(15-13-24)53(63)64/h12-16,27-35,37-38,47,54-56,62H,17-23H2,1-11H3,(H,48,59)(H,49,58)(H,50,57)(H,51,60)(H,52,61)/t27?,28-,29-,30+,31+,32+,33-,34-,35?,37+,38+,46-/m0/s1

IUPAC

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