ChemSpider 2D Image | Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide | C39H43N4O6P

Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide

  • Molecular FormulaC39H43N4O6P
  • Average mass694.756 Da
  • Monoisotopic mass694.291992 Da
  • ChemSpider ID393578

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-[(S)-[(1S,2S)-2-[[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-5-phenylpentyl]hydroxyphosphinyl]-2-phenylethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide [ACD/IUPAC Name]
Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phényléthyl](hydroxy)phosphoryl]méthyl}-5-phénylpentanoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
(R)-RETRO-THIORPHAN
1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
RXP

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

RRT [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: 1055.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.9±3.0 kJ/mol
Flash Point: 592.2±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 23.89
ACD/KOC (pH 5.5): 60.42
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 8.77
Polar Surface Area: 173 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 540.2±3.0 cm3

Click to predict properties on the Chemicalize site


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