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

Description:

The chemical substance known as 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, with the CAS number 202467-70-7, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as nitro, carboxyl, and amine functionalities. This compound features a bicyclic framework, specifically a bicyclo[3.2.0]heptene system, which contributes to its unique stereochemistry and potential biological activity. The presence of the nitrophenyl and carboxyphenyl moieties suggests that it may exhibit significant interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the stereochemical configuration indicated by the R and S designations implies that the compound may have specific chiral properties that could influence its pharmacological effects. Overall, this substance is likely to be studied for its potential applications in drug development or as a biochemical probe.

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: C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@@]([C@@H](C)O)(C3=O)[H])([C@@H](C)C2S[C@H]4C[C@@H](C(NC5=CC(C(O)=O)=CC=C5)=O)N(C(OCC6=CC=C(N(=O)=O)C=C6)=O)C4)[H]

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

Controlled Product

CAS: 202467-70-7

Applications Intermediate in the preparation of Ertapenem (E635000).

Formula: C₃₇D₄H₃₀N₅NaO₁₃S

Color and Shape: Neat

Molecular weight: 815.771

Ref: TR-C178027