ChemSpider 2D Image | 1-{(2S)-5-[(Diaminomethylene)amino]-1-oxo-2-pentanyl}-N-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]-L-prolinamide | C25H38N6O5

1-{(2S)-5-[(Diaminomethylene)amino]-1-oxo-2-pentanyl}-N-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]-L-prolinamide

  • Molecular FormulaC25H38N6O5
  • Average mass502.606 Da
  • Monoisotopic mass502.290375 Da
  • ChemSpider ID164799

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-{(2S)-5-[(Diaminomethylen)amino]-1-oxo-2-pentanyl}-N-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]-L-prolinamid [German] [ACD/IUPAC Name]
1-{(2S)-5-[(Diaminomethylene)amino]-1-oxo-2-pentanyl}-N-[(2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]-L-prolinamide [ACD/IUPAC Name]
1-{(2S)-5-[(Diaminométhylène)amino]-1-oxo-2-pentanyl}-N-[(2R)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-phénylpropanoyl]-L-prolinamide [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-2-[[[(2S)-1-[(1S)-4-[(diaminomethylene)amino]-1-formylbutyl]-2-pyrrolidinyl]carbonyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
69201-89-4 [RN]
Boc-D-phe-pro-arg-al
Gyki 14,451
tert-Butyl-oxy-carbonyl-D-phe-pro-arg-al
tert-Butyloxycarbonyl-phenylalanyl-prolyl-arginal

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

Gyki 14451 [DBID]
LY 178207 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 169 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

Click to predict properties on the Chemicalize site


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