ChemSpider 2D Image | N-{(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide | C38H50N6O7

N-{(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide

  • Molecular FormulaC38H50N6O7
  • Average mass702.840 Da
  • Monoisotopic mass702.374084 Da
  • ChemSpider ID393690

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-L-phenylalanyl-L-glutaminyl- [ACD/Index Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-glutaminyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S,3S)-2-Hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]-L-phénylalanyl-L-glutaminyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2R,3S)-3-[(tert-Butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide
N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide
0ZR
Boc-Phe-.phi.[(S)-CH(OH)CH2NH]Phe-Gln-Phe-NH2
Boc-Phe-ψ[S-CH(OH)CH2NH]Phe-Gln-Phe-NH2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL386758/

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

AIDS057818 [DBID]
AIDS-057818 [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: 1041.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.6±3.0 kJ/mol
Flash Point: 583.8±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 192.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 42.03
ACD/KOC (pH 5.5): 386.24
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.06
ACD/KOC (pH 7.4): 974.52
Polar Surface Area: 215 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 574.8±3.0 cm3

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