ChemSpider 2D Image | [(1R)-1-{[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl][(1S)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred n ame) | C42H51N4O8P

[(1R)-1-{[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl][(1S)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred n ame)

  • Molecular FormulaC42H51N4O8P
  • Average mass770.850 Da
  • Monoisotopic mass770.344421 Da
  • ChemSpider ID420206

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R)-1-{[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl][(1S)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred n ame) [ACD/IUPAC Name]
[(1R)-1-{[(2S)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl][(1S)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinsäure (non-preferred nam e) [German] [ACD/IUPAC Name]
Acide [(1R)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-méthylbutanoyl]amino}-2-phényléthyl][(1S)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-méthylbutanoyl]amino}-2-phényléthyl]phosphinique (non-preferre d name) [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[(1R)-1-[hydroxy[(1S)-1-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-phenylethyl]phosphinyl]-2-phenylethyl]amino]carbonyl]-2-methylpropyl]-, phenyl methyl ester [ACD/Index Name]
(1R)-1-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]-2-PHENYLETHYL((1S)-1-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]-2-PHENYLETHYL)PHOSPHINIC ACID
(Cbz-Val-NHBz)2P(O)OH
[(1R)-1-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-phenylethyl]-[(1S)-1-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-phenylethyl]phosphinic acid
[(1R)-1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]-[(1S)-1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]phosphinic acid
141396-12-5 [RN]
141750-63-2 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS093390 [DBID]
AIDS-093390 [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: 1040.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.5±3.0 kJ/mol
Flash Point: 583.3±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 209.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 37.89
ACD/KOC (pH 5.5): 72.46
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 8.94
ACD/KOC (pH 7.4): 17.10
Polar Surface Area: 182 Å2
Polarizability: 83.1±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 628.8±3.0 cm3

Click to predict properties on the Chemicalize site


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