CAS Number
Molecular Formula
C44H48N6O13S2
Product format
Neat
Molecular Weight
933.02
Storage
ROOM T
Shipping
Room Temperature
API Family
Synonyms
Ertapenem Dimer Impurity, 402955-37-7, GZ7TH82JXM, RefChem:1084230, (4R, 5S, 6S)-3-[[(3S, 5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-1-[[(4R, 5S, 6S)-3-[[(3S, 5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-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)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4R, 5S, 6S)-3-[(3S, 5S)-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-carbonyl]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)-5-((3-Carboxyphenyl)carbamoyl)-1-((4R, 5S, 6S)-3-(((3S, 5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, Ertapenem Impurity 9, Ertapenem Dimer-H2O B, Ertapenem sodium dimer IV, Ertapenem sodium dimer hydrate b, SCHEMBL12509450, DTXSID90747710, (4R, 5S, 6S)-3-{[(3S, 5S)-5-[(3-Carboxyphenyl)carbamoyl]-1-{(4R, 5S, 6S)-3-({(3S, 5S)-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-carbonyl}pyrrolidin-3-yl]sulfanyl}-6-[(1R)-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-carboxyphenyl)amino]carbonyl]-1-[[(4R, 5S, 6S)-3-[[(3S, 5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R, 5S and 6S)-
Smiles
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)N5C[C@H](C[C@H]5C(=O)NC6=CC=CC(=C6)C(=O)O)SC7=C(N8[C@H]([C@H]7C)[C@H](C8=O)[C@@H](C)O)C(=O)O)[C@@H](C)O
Iupac Name
(4R, 5S, 6S)-3-[(3S, 5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4R, 5S, 6S)-3-[(3S and 5S)-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-carbonyl]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/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
