Analyte Name

N-Penta-cbz 3-Azido Neomycin B

Molecular Formula

C63 H74 N8 O23

Molecular Weight

1311.302

Accurate Mass

1310.487

SMILES

OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](C[C@H](N=[N+]=[N-])[C@H]2O[C@H]3O[C@H](CNC(=O)OCc4ccccc4)[C@@H](O)[C@H](O)[C@H]3NC(=O)OCc5ccccc5)NC(=O)OCc6ccccc6)[C@H](O)[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/C63H74N8O23/c64-71-70-41-26-40(67-61(81)86-32-37-20-10-3-11-21-37)47(73)55(53(41)92-56-45(68-62(82)87-33-38-22-12-4-13-23-38)50(76)48(74)42(89-56)27-65-59(79)84-30-35-16-6-1-7-17-35)94-58-52(78)54(44(29-72)91-58)93-57-46(69-63(83)88-34-39-24-14-5-15-25-39)51(77)49(75)43(90-57)28-66-60(80)85-31-36-18-8-2-9-19-36/h1-25,40-58,72-78H,26-34H2,(H,65,79)(H,66,80)(H,67,81)(H,68,82)(H,69,83)/t40-,41+,42-,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+/m1/s1

IUPAC

benzyl N-[(1R,2S,3R,4R,5S)-5-azido-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