ChemSpider 2D Image | Benzyl [(2S)-4-amino-1-{[(2S,3S)-4-{(2S,4R)-4-cyclohexyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-pyrrolidinyl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate | C37H51N5O7

Benzyl [(2S)-4-amino-1-{[(2S,3S)-4-{(2S,4R)-4-cyclohexyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-pyrrolidinyl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID439007

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-4-Amino-1-{[(2S,3S)-4-{(2S,4R)-4-cyclohexyl-2-[(2-méthyl-2-propanyl)carbamoyl]-1-pyrrolidinyl}-3-hydroxy-4-oxo-1-phényl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate de benzyle (non-preferred n ame) [French] [ACD/IUPAC Name]
Benzyl [(2S)-4-amino-1-{[(2S,3S)-4-{(2S,4R)-4-cyclohexyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-pyrrolidinyl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-4-amino-1-{[(2S,3S)-4-{(2S,4R)-4-cyclohexyl-2-[(2-methyl-2-propanyl)carbamoyl]-1-pyrrolidinyl}-3-hydroxy-4-oxo-1-phenyl-2-butanyl]amino}-1,4-dioxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-amino-1-[[[(1S,2S)-3-[(2S,4R)-4-cyclohexyl-2-[[(1,1-dimethylethyl)amino]carbonyl]-1-pyrrolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-oxopropyl]-, phenylm ethyl ester [ACD/Index Name]
{(S)-1-[(1S,2S)-1-Benzyl-3-((2S,4R)-2-tert-butylcarbamoyl-4-cyclohexyl-pyrrolidin-1-yl)-2-hydroxy-3-oxo-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
PhCH2-O-CO-Asn-(2S,3S)-AHPBA-Ccp-NH-tBu

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

AIDS163758 [DBID]
AIDS-163758 [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: 991.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.5±3.0 kJ/mol
Flash Point: 553.4±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 183.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 956.82
ACD/KOC (pH 5.5): 4731.50
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 956.50
ACD/KOC (pH 7.4): 4729.92
Polar Surface Area: 180 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 551.9±3.0 cm3

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