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Ertapenem 4-Nitrobenzyl Methyl Ester, TRC

Product Code. 30379673
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Product Code. 30379673 Supplier Toronto Research Chemicals Supplier No. TRCE6350705MG

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Specifications

Chemical Name or Material Ertapenem 4-Nitrobenzyl Methyl Ester
Analyte or Component Names Ertapenem 4-Nitrobenzyl Methyl Ester
Shipping Condition Room Temperature
Molecular Formula C30H32N4O9S
Synonym (4R,5S,6S)-4-Nitrobenzyl 6-((R)-1-Hydroxyethyl)-3-(((3S,5S)-5-((3-(methoxycarbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChI Formula InChI=1S/C30H32N4O9S/c1-15-24-23(16(2)35)28(37)33(24)25(30(39)43-14-17-7-9-20(10-8-17)34(40)41)26(15)44-21-12-22(31-13-21)27(36)32-19-6-4-5-18(11-19)29(38)42-3/h4-11,15-16,21-24,31,35H,12-14H2,1-3H3,(H,32,36)/t15-,16-,21+,22+,23-,24-/m1/s1
Solution Type Neat
SMILES O=C1[C@@]([C@H](O)C)([H])[C@]2([H])N1C(C(OCC3=CC=C([N+]([O-])=O)C=C3)=O)=C(S[C@@H]4CN[C@H](C(NC5=CC=CC(C(OC)=O)=C5)=O)C4)[C@@H]2C
IUPAC Name 4-nitrobenzyl (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-(((3S,5S)-5-((3-(methoxycarbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Industry Type Pharmaceutical
Molecular Weight (g/mol) 624.66
Quantity 5 mg
Formula Weight 624.19
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