CAS Number
Molecular Formula
C44H50N6O14S2
Product format
Neat
Molecular Weight
951.05
Storage
+5ºC
Shipping
Room Temperature
API Family
Synonyms
HBU6SC5D7L; RefChem:1084229; 402955-38-8; Ertapenem Dimer Ester Impurity; Ertapenem Impurity 11; SCHEMBL12509451; (4R, 5S, 6S)-3-[[(3S, 5S)-5-[[[3-[[(1R, 2S)-2-Carboxy-2-[(2S, 3R)-5-carboxy-4-[[(3S, 5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3, 4-dihydro-3-methyl-2H-pyrrol-2-yl]-1-methylethoxy]carbonyl]phenyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid; Ertapenem Impurity 11 (Ertapenem Dimer Ester Impurity); (4R, 5S, 6S)-3-(((3S, 5S)-5-((3-((((1S, 2R)-1-carboxy-1-((2S, 3R)-5-carboxy-4-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3, 4-dihydro-2H-pyrrol-2-yl)propan-2-yl)oxy)carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethy; (4R, 5S, 6S)-3-(((3S, 5S)-5-((3-((((1S, 2R)-1-Carboxy-1-((2S, 3R)-5-carboxy-4-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-3, 4-dihydro-2H-pyrrol-2-yl)propan-2-yl)oxy)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; 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S, 5S)-5-[[[3-[[(1R, 2S)-2-carboxy-2-[(2S, 3R)-5-carboxy-4-[[(3S, 5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3, 4-dihydro-3-methyl-2H-pyrrol-2-yl]-1-methylethoxy]carbonyl]phenyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R, 5S and 6S)-
Iupac Name
(4R, 5S, 6S)-3-[(3S, 5S)-5-[[3-[(1S, 2R)-1-carboxy-1-[(2S, 3R)-5-carboxy-4-[(3S, 5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3 and 4-dihydro-2H-pyrrol-2-yl]propan-2-yl]oxycarbonylphenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChI
InChI=1S/C44H50N6O14S2/c1-17-31(49-32(42(59)60)35(17)65-25-13-27(45-15-25)37(52)47-23-9-5-7-21(11-23)40(55)56)30(41(57)58)20(4)64-44(63)22-8-6-10-24(12-22)48-38(53)28-14-26(16-46-28)66-36-18(2)33-29(19(3)51)39(54)50(33)34(36)43(61)62/h5-12,17-20,25-31,33,35,45-46,51H,13-16H2,1-4H3,(H,47,52)(H,48,53)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,33-,35?/m1/s1
