ChemSpider 2D Image | (4S)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline | C15H19NO3S2

(4S)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline

  • Molecular FormulaC15H19NO3S2
  • Average mass325.446 Da
  • Monoisotopic mass325.080627 Da
  • ChemSpider ID24540938
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline [ACD/IUPAC Name]
(4S)-1-[(2R)-2-Méthyl-3-sulfanylpropanoyl]-4-(phénylsulfanyl)-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2R)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- [ACD/Index Name]
(2S,4S)-1-[(2R)-2-METHYL-3-SULFANYLPROPANOYL]-4-(PHENYLSULFANYL)PYRROLIDINE-2-CARBOXYLIC ACID
(2S,4S)-1-[(2R)-2-METHYL-3-SULFANYL-PROPANOYL]-4-PHENYLSULFANYL-PYRROLIDINE-2-CARBOXYLIC ACID
1-((2R)-2-methyl-3-sulfanylpropanoyl)(2S,4S)-4-phenylthiopyrrolidine-2-carboxylic acid
75176-37-3 [RN]
Zofenopril [INN] [Wiki]
Zofenoprilat [INN] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 247.0±5.0 cm3

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