CAS: 202467-70-7 - 2-[(4-Nitrophenyl)methyl] (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-carboxylate

Formula: C₃₇H₃₅N₅O₁₃S

InChI: InChI=1S/C37H35N5O13S/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)/t19-,20-,27+,28+,29-,30-/m1/s1

InChI key: InChIKey=VEXOJCHVKYARHV-ADDCPRAZSA-N

SMILES: O=C(O)C=1C=CC=C(C1)NC(=O)C2N(C(=O)OCC3=CC=C(C=C3)N(=O)=O)CC(SC4=C(C(=O)OCC5=CC=C(C=C5)N(=O)=O)N6C(=O)C(C(O)C)C6C4C)C2

Synonyms:

• 2-[(4-Nitrophenyl)methyl] (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-carboxylate
• 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[[(3-carboxyphenyl)amino]carbonyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, 2-[(4-nitrophenyl)methyl] ester, [4R-[3(3S*,5S*),4α,5β,6β(R*)]]-
• 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, 2-[(4-nitrophenyl)methyl] ester, (4R,5S,6S)-

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

CAS: 202467-70-7

Applications Intermediate in the preparation of Ertapenem (E635000).

• Formula: C₃₇D₄H₃₀N₅NaO₁₃S
• Color and Shape: Neat
• Molecular weight: 815.771