N-Carboxy Ertapenem-d4 Di-(4-Nitrobenzyl) Ester

CAS: 202467-70-7

Ref. TR-C178027

Product Information

• Name: N-Carboxy Ertapenem-d4 Di-(4-Nitrobenzyl) Ester
• Synonyms: (4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid 2-[(4-Nitrophenyl)methyl] Ester
• Brand: TRC
• Description: Applications Intermediate in the preparation of Ertapenem (E635000).

Chemical properties

• Molecular weight: 815.771
• Formula: C₃₇D₄H₃₀N₅NaO₁₃S
• Color/Form: Neat
• InChI: InChI=1S/C37H35N5O13S.Na/c1-19-30-29(20(2)43)34(45)40(30)31(36(48)54-17-21-6-10-25(11-7-21)41(50)51)32(19)56-27-15-28(33(44)38-24-5-3-4-23(14-24)35(46)47)39(16-27)37(49)55-18-22-8-12-26(13-9-22)42(52)53;/h3-14,19-20,27-30,43H,15-18H2,1-2H3,(H,38,44)(H,46,47);/q;+1/p-1/t19-,20-,27+,28+,29-,30-;/m1./s1/i3D,4D,5D,14D
• SMILES: [2H]c1c([2H])c(NC(=O)[C@@H]2C[C@H](SC3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)c([2H])c(C(=O)O[Na])c1[2H]