ChemSpider 2D Image | terlakiren | C31H48N4O7S

terlakiren

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID58451

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[R-(R*,S*)]-N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide
119625-78-4 [RN]
CP-80,794
E5H9IP637W
ISOPROPYL (2R,3S)-4-CYCLOHEXYL-2-HYDROXY-3-[[(2R)-3-(METHYLSULFANYL)-2-([(2S)-2-[(4-MORPHOLINYLCARBONYL)AMINO]-3-PHENYLPROPANOYL]AMINO)PROPANOYL]AMINO]BUTANOATE
isopropyl (2R,3S)-4-cyclohexyl-2-hydroxy-3-{[(2R)-3-(methylsulfanyl)-2-({(2S)-2-[(4-morpholinylcarbonyl)amino]-3-phenylpropanoyl}amino)propanoyl]amino}butanoate
Isopropyl (aR,bS)-a-hydroxy-b-[(R)-3-(methylthio)-2-[(S)-a-4-morpholinecarboxamidohydrocinnamamido]propionamido]cyclohexanebutyrate
L-Cysteinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl- [ACD/Index Name]
N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamid [German] [ACD/IUPAC Name]
N-(4-Morpholinylcarbonyl)-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6905 [DBID]
CP 80794 [DBID]
D03743 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 908.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.3±3.0 kJ/mol
Flash Point: 503.1±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 618.34
ACD/KOC (pH 5.5): 3463.86
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 618.20
ACD/KOC (pH 7.4): 3463.09
Polar Surface Area: 172 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 515.1±3.0 cm3

Click to predict properties on the Chemicalize site


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