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(4-Nitrophenyl)Methyl (2s,4s)-4-Acetylsulfanyl-2-[[(2-Methylpropan-2-Yl)Oxycarbonyl-Sulfamoylamino]Methyl]Pyrrolidine-1-Carboxylate

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(4-Nitrophenyl)Methyl (2S,4S)-4-Acetylsulfanyl-2-[[(2-Methylpropan-2-Yl)Oxycarbonyl-Sulfamoylamino]Methyl]Pyrrolidine-1-Carboxylate / CAS : 491878-06-9

Appearance white solid UN -
HS 29359000 DG Class -
Synonyms 4-Nitrobenzyl (2S,4S)-4-Acetylthio-2-[[N-Sulfamoyl-N-(Tert-Butoxycarbonyl)Amino]Methyl]Pyrrolidine-1-Carboxylate; Doripenem Side-Chain; Side Chain For Doripenem; (2S,4S )-4-Nitrobenzyl-4-( Acetylthio )-2-(Tert-Butoxycarbonyl(Sulfamonyl)Amino)Methyl)Pyrrolidine-1-Carboxylate
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Properties

Summary

Formula
C20H28N4O9S2
Molecular Mass
532.58800
Exact Mass
532.13000
PSA
215.81000
Logp
4.63680
IUPAC
(4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate
SMILES
CC(=O)SC1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN(C(=O)OC(C)(C)C)S(=O)(=O)N

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
124-132 ºC
Density
1.45 g/cm3
Boiling Point
686.8 ºC
Flash Point
369.2 ºC
Appearance
white solid
Acidity and Basicity
neutral

Export information

HS Code
29359000
Export Rebate
13%

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