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Ertapenem N-Carbonyl Dimer Impurity

SZ CAT No SZ-E049003
CAS No 1199797-43-7
Mol.F. C44H48N6O13S2
Mol.Wt. 933.0
Inv. Status Custom Synthesis


Chemical Name: (4R,5S,6S)-3-(((3S,5S)-5-((3-((2S,4S)-4-(((4R,5S,6S)-2-Carboxy-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio)-2-((3-carboxyphenyl)carbamoyl)pyrrolidine-1-carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Smiles: OC(C(N(C1=O)[C@]([C@@]1([H])[C@H](O)C)([H])[C@H]2C)=C2S[C@@H]3CN(C(C4=CC(NC([C@@H]5C[C@H](SC([C@@H]6C)=C(N7[C@@]6([H])[C@]([C@H](O)C)([H])C7=O)C(O)=O)CN5)=O)=CC=C4)=O)[C@H](C(NC8=CC(C(O)=O)=CC=C8)=O)C3)=O

Inchi: InChI=1S/C44H48N6O13S2/c1-17-31-29(19(3)51)39(55)49(31)33(35(17)64-25-13-27(45-15-25)37(53)46-23-9-5-7-21(11-23)42(58)59)41(57)48-16-26(14-28(48)38(54)47-24-10-6-8-22(12-24)43(60)61)65-36-18(2)32-30(20(4)52)40(56)50(32)34(36)44(62)63/h5-12,17-20,25-32,45,51-52H,13-16H2,1-4H3,(H,46,53)(H,47,54)(H,58,59)(H,60,61)(H,62,63)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,32-/m1/s1