Analyte Name

Amoxicillin Closed-loop Trimer

Molecular Formula

C48 H53 N9 O13 S3

Molecular Weight

1060.182

Accurate Mass

1059.292

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)[C@@H]3N4[C@H](SC3(C)C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]5N6C(SC5(C)C)[C@H](NC(=O)[C@H](N)c7ccc(O)cc7)C6=O)c8ccc(O)cc8)C4=O)c9ccc(O)cc9)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C48H53N9O13S3/c1-46(2)31(55-39(66)28(42(55)71-46)52-34(61)25(49)19-7-13-22(58)14-8-19)37(64)50-26(20-9-15-23(59)16-10-20)35(62)53-29-40(67)56-32(47(3,4)72-43(29)56)38(65)51-27(21-11-17-24(60)18-12-21)36(63)54-30-41(68)57-33(45(69)70)48(5,6)73-44(30)57/h7-18,25-33,42-44,58-60H,49H2,1-6H3,(H,50,64)(H,51,65)(H,52,61)(H,53,62)(H,54,63)(H,69,70)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,42?,43-,44-/m1/s1

IUPAC

(2S,5R,6R)-6-[[(2R)-2-[[(2S,5R,6R)-6-[[(2R)-2-[[(2S,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat