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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H50N6O14S2
Molecular Weight 951.03
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ertapenem Dimer Amide Impurity

SMILES

C[C@@H](O)[C@H]([C@H]1[C@@H](C)C(S[C@@H]2CN[C@@H](C2)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)C4=CC(NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N7[C@@H]([C@@H]([C@@H](C)O)C7=O)[C@H]6C)C(O)=O)=CC=C4)C(O)=O)C(O)=O

InChI

InChIKey=ATXZKQUYOZAYTG-BNCIILEKSA-N
InChI=1S/C44H50N6O14S2/c1-17-31-29(19(3)51)40(56)50(31)34(44(63)64)35(17)65-25-13-27(45-15-25)37(53)47-23-9-5-7-21(11-23)39(55)49-32(30(20(4)52)42(59)60)18(2)36(33(49)43(61)62)66-26-14-28(46-16-26)38(54)48-24-10-6-8-22(12-24)41(57)58/h5-12,17-20,25-32,45-46,51-52H,13-16H2,1-4H3,(H,47,53)(H,48,54)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Approval Year