CAS Number
Molecular Formula
C44H50N6O14S2
Product format
Neat
Molecular Weight
951.05
API Family
Synonyms
1199797-41-5; Ertapenem Dimer Form D Impurity; Ertapenem Dimer I; (4R, 5S, 6S)-3-[(3S, 5S)-1-[(2S, 3R)-2-[(2S, 3R)-5-carboxy-4-[(3S, 5S)-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; (4R, 5S, 6S)-3-[[(3S, 5S)-1-[(2S, 3R)-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]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid; BF98MVL6BQ; SCHEMBL12509127; DTXSID10747712; PUBCHEM_71316414; (4R, 5S, 6S)-3-[[(3S, 5S)-1-[(2S, 3R)-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]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hyd; 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S, 5S)-1-[(2S, 3R)-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]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)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)-1-[(2S, 3R)-2-[(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]-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
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
