Analyte Name

N-Penta-cbz Neomycin B

Molecular Formula

C63 H76 N6 O23

Molecular Weight

1285.304

Accurate Mass

1284.496

SMILES

N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CNC(=O)OCc5ccccc5)[C@@H](O)[C@H](O)[C@H]4NC(=O)OCc6ccccc6)[C@H]3O)[C@@H]1O[C@H]7O[C@H](CNC(=O)OCc8ccccc8)[C@@H](O)[C@H](O)[C@H]7NC(=O)OCc9ccccc9

InChI

InChI=1S/C63H76N6O23/c64-40-26-41(67-61(79)84-32-37-20-10-3-11-21-37)47(71)55(53(40)90-56-45(68-62(80)85-33-38-22-12-4-13-23-38)50(74)48(72)42(87-56)27-65-59(77)82-30-35-16-6-1-7-17-35)92-58-52(76)54(44(29-70)89-58)91-57-46(69-63(81)86-34-39-24-14-5-15-25-39)51(75)49(73)43(88-57)28-66-60(78)83-31-36-18-8-2-9-19-36/h1-25,40-58,70-76H,26-34,64H2,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t40-,41+,42+,43-,44+,45+,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-/m0/s1

IUPAC

benzyl N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat