Ertapenem Dimer Form D Impurity

Analyte Name

Ertapenem Dimer Form D Impurity

CAS Number

1199797-41-5

Molecular Formula

C44 H50 N6 O14 S2

Molecular Weight

951.03

Accurate Mass

950.283

SMILES

C[C@@H](O)[C@H]([C@@H]1N=C(C(S[C@H]2CN[C@H](C2)C(=O)Nc3cccc(c3)C(=O)O)[C@@H]1C)C(=O)O)C(=O)N4C[C@H](C[C@H]4C(=O)Nc5cccc(c5)C(=O)O)SC6=C(N7[C@H]([C@H]6C)[C@@H]([C@@H](C)O)C7=O)C(=O)O

InChI

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

IUPAC

(4R,5S,6S)-3-[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-carboxy-4-[(3R,5R)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-3-hydroxybutanoyl]-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat