CAS Number
Molecular Formula
C22H27N3O8S
Product format
Neat
Molecular Weight
493.53
API Family
Synonyms
357154-27-9; Ertapenem metabolite M2; YP440V6LGX; UNII-YP440V6LGX; Ertapenem, (beta-lactam ring-opened)-; L-774183; 1H-Pyrrole-2-acetic acid, 5-carboxy-4-(((3S, 5S)-5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-2, 3-dihydro-alpha-((1R)-1-hydroxyethyl)-3-methyl-, (alphaS, 2S, 3R)-; 1H-PYRROLE-2-ACETIC ACID, 5-CARBOXY-4-(((3S, 5S)-5-(((3-CARBOXYPHENYL)AMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-2, 3-DIHYDRO-.ALPHA.-((1R)-1-HYDROXYETHYL)-3-METHYL-, (.ALPHA.S, 2S, 3R)-; 1H-Pyrrole-2-acetic acid, 5-carboxy-4-[[(3S, 5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-2, 3-dihydro-alpha-[(1R)-1-hydroxyethyl]-3-methyl-, (alphaS, 2S, 3R)-; RefChem:200807; Ertapenem Ring Open Impurity; hydrolysed ertapenem; (2S, 3R)-2-[(1S, 2R)-1-carboxy-2-hydroxypropyl]-4-[(3S, 5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2, 3-dihydro-1H-pyrrole-5-carboxylic acid; (4R, 5S)-5-((1S, 2R)-1-Carboxy-2-hydropropyl)-3-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4, 5-dihydro-1H-pyrrole-2-carboxylic Acid-Sodium Salt Hydrate (technical grade); (4R, 5S)-5-((1S, 2R)-1-Carboxy-2-hydroxypropyl)-3-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4, 5-dihydro-1H-pyrrole-2-carboxylic acid; (4R, 5S)-5-((1S, 2R)-1-Carboxy-2-hydropropyl)-3-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-4 and 5-dihydro-1H-pyrrole-2-carboxylic Acid
Iupac Name
(2S, 3R)-2-[(1S, 2R)-1-carboxy-2-hydroxypropyl]-4-[(3S, 5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2 and 3-dihydro-1H-pyrrole-5-carboxylic acid
InChI
InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1
