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3-((2s,4s)-4-Mercapto-1-(((4-Nitrobenzyl)Oxy)Carbonyl)Pyrrolidine-2-Carboxamido)Benzoic Acid

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3-((2S,4S)-4-Mercapto-1-(((4-Nitrobenzyl)Oxy)Carbonyl)Pyrrolidine-2-Carboxamido)Benzoic Acid / CAS : 202467-69-4

Appearance White or off white powder UN 0.0
HS 29339900 DG Class 0.0
Synonyms 3-[[[(2S,4S)-4-Mercapto-1-(4-Nitrobenzyloxy)Carbonyl-2-Pyrrolidinyl]Carbonyl]Amino]Benzoic Acid; 2-[[(3-Carboxyphenyl)Amino]Carbonyl]-4-Mercapto-1-Pyrrolidinecarboxylic Acid (2S-Cis)-1-[(4-Nitrophenyl)Methyl] Ester; Ertapenem; Ertapenem side Chain; (2S,4S)-2-[[(3-Carboxyphenyl)Amino]Carbonyl]-4-Mercapto-1-(4-Nitrobenzyl)Pyrrolidinecarboxylate; Side Chain For Ertapenem; The Sidechain Of Ertapenem
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Properties

Summary

Formula
C20H19N3O7S
Molecular Mass
445.44600
Exact Mass
445.09400
PSA
180.56000
Logp
3.47510
IUPAC
3-[[(2S,4S)-1-[(4-nitrophenyl)methoxycarbonyl]-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid
SMILES
C1C(CN(C1C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Density
1.5g/cm3
Boiling Point
749.6ºC
Flash Point
407.1ºC
Appearance
White or off white powder
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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