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Ertapenem N-tert-Butyloxycarbonyl 4-Nitrophenyl Methyl Ester, TRC

Product Code. 30380920
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Product Code. 30380920 Supplier Toronto Research Chemicals Supplier No. TRCE6350751MG

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Specifications

Chemical Name or Material Ertapenem N-tert-Butyloxycarbonyl 4-Nitrophenyl Methyl Ester
Analyte or Component Names Ertapenem N-tert-Butyloxycarbonyl 4-Nitrophenyl Methyl Ester
Shipping Condition Room Temperature
Molecular Formula C35 H40 N4 O11 S
InChI Formula InChI=1S/C35H40N4O11S/c1-18-27-26(19(2)40)31(42)38(27)28(33(44)49-17-20-10-12-23(13-11-20)39(46)47)29(18)51-24-15-25(37(16-24)34(45)50-35(3,4)5)30(41)36-22-9-7-8-21(14-22)32(43)48-6/h7-14,18-19,24-27,40H,15-17H2,1-6H3,(H,36,41)/t18-,19-,24+,25+,26-,27-/m1/s1
Solution Type Neat
SMILES COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)SC3=C(N4[C@H]([C@H]3C)[C@@H]([C@@H](C)O)C4=O)C(=O)OCc5ccc(cc5)[N+](=O)[O-])c1
IUPAC Name (4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(3-methoxycarbonylphenyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Industry Type Pharmaceutical
Molecular Weight (g/mol) 724.777
Quantity 1 mg
Formula Weight 724.241
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