ChemSpider 2D Image | tert-butyl 1-[(2R,3S)-3-({N~2~-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutyl]-L-prolinate | C31H42N4O7

tert-butyl 1-[(2R,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutyl]-L-prolinate

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID397867

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(2R,3S)-3-({N2-[(Benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phénylbutyl]-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(2R,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutyl]-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(2R,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutyl]-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2R,3S)-3-[[(2S)-4-amino-1,4-dioxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 1-[(2R,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutyl]-L-prolinate
1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propionylamino)-2-hydroxy-4-phenyl-butyl]-pyrrolidine-2-carboxylic acid tert-butyl ester
127749-91-1 [RN]
Benzyoxycarbonyl-Asn-Phe-[R]-[CH(OH)CH2N]Pro-Otert-butyl
L-Proline, 1-((2R,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester
tert-Butyl (2S)-1-(3-((2S)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanoylamino)(3S,2R)-2-hydroxy-4-phenylbutyl)pyrrolidine-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000699 [DBID]
AIDS-000699 [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: 832.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 457.4±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 17.94
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 96.99
ACD/KOC (pH 7.4): 733.66
Polar Surface Area: 160 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 475.7±3.0 cm3

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