Zofenoprilat

Molecular Structure of L-Proline,1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- (CAS No. 75176-37-3):

IUPAC Name: (2S,4S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid  
Molecular Formula: C₁₅H₁₉NO₃S₂
Molecular Weight: 325.45
CAS Registry Number: 75176-37-3
Index of Refraction: 1.658
Molar Refractivity: 117.45 cm³
Molar Volume: 318.6 cm³
Surface Tension: 65.3 dyne/cm
Density: 1.34 g/cm³
Flash Point: 344.7 °C
Enthalpy of Vaporization: 100.17 kJ/mol
Boiling Point: 646.3 °C at 760 mmHg
Vapour Pressure: 1.38E-17 mmHg at 25°C
Product Categories: All Inhibitors;Inhibitors;Intermediates & Fine Chemicals;Metabolites & Impurities;MTS & Sulfhydryl Active Reagents;Pharmaceuticals
Structure Descriptors of L-Proline,1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- (CAS No. 75176-37-3):
SMILES: O=C([C@@H](C)CSC(=O)c1ccccc1)N3C[C@@H](Sc2ccccc2)C[C@H]3C(O)=O
InChI: InChI=1/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18-,19-/m0/s1
InChIKey: IAIDUHCBNLFXEF-SNRMKQJTBM
Std. InChI: InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18-,19-/m0/s1
Std. InChIKey: IAIDUHCBNLFXEF-SNRMKQJTSA-N

  L-Proline,1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- with cas registry number of 75176-37-3 is also called UNII-4G4WDK2YBS ; Zofenoprilat ; Zofenoprilat [INN] ; Zofenoprilate ; Zofenoprilate [INN-French] ; Zofenoprilatum ; Zofenoprilatum [INN-Latin] ; L-Proline, 1-(3-mercapto-2-methyl-1-oxopropyl)-4-(phenylthio)-, (1(R*),2alpha,4alpha)- .