Analyte Name

Amoxicillin Tetramer Formate

Molecular Formula

C64H76N12O20S4.CH2O2

Molecular Weight

1507.64

Accurate Mass

1506.42

SMILES

OS(=O)(=O)OCC1[C@H](OC(=O)c2ccccc2)C(OC(=O)c3ccccc3)C(NC(C)=O)[C@H](Oc4cc5c(cc4)C(C)=CC(=O)O5)O1

InChI

InChI=1S/C64H76N12O20S4.CH2O2/c1-61(2)41(57(89)90)73-52(97-61)37(69-45(81)33(65)25-9-17-29(77)18-10-25)49(85)66-34(26-11-19-30(78)20-12-26)46(82)70-38(53-74-42(58(91)92)62(3,4)98-53)50(86)67-35(27-13-21-31(79)22-14-27)47(83)71-39(54-75-43(59(93)94)63(5,6)99-54)51(87)68-36(28-15-23-32(80)24-16-28)48(84)72-40-55(88)76-44(60(95)96)64(7,8)100-56(40)76;2-1-3/h9-24,33-44,52-54,56,73-75,77-80H,65H2,1-8H3,(H,66,85)(H,67,86)(H,68,87)(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,89,90)(H,91,92)(H,93,94)(H,95,96);1H,(H,2,3)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,52-,53-,54-,56-;/m1./s1

IUPAC

(2R,2'R,2''R,4S,4'S,4''S)-2,2',2''-((1R,4R,7R,10R,13R,16R,19R)-1-amino-20-(((2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)amino)-1,7,13,19-tetrakis(4-hydroxyphenyl)-2,5,8,11,14,17,20-heptaoxo-3,6,9,12,15,18-hexaazaicosane-4,10,16-triyl)tris(5,5-dimethylthiazolidine-4-carboxylic acid)--formic acid (1/1)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat