ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide | C33H44N4O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide

  • Molecular FormulaC33H44N4O6
  • Average mass592.726 Da
  • Monoisotopic mass592.326111 Da
  • ChemSpider ID429182

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

benzyl [(2S)-1-{[(2S)-1-{[(2S)-1-(1,3-benzoxazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]carbamate
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-(2-benzoxazolylcarbonyl)-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-4-methyl-1-oxo-2-pentanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(1,3-benzoxazol-2-yl)-4-méthyl-1-oxo-2-pentanyl]-L-leucinamide [French] [ACD/IUPAC Name]
((S)-1-{(S)-1-[(S)-1-(Benzooxazole-2-carbonyl)-3-methyl-butylcarbamoyl]-3-methyl-butylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL325264/
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N1-[(1S)-1-(2-benzoxazolylcarbonyl)-3-methylbutyl]-

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

AIDS113550 [DBID]
AIDS-113550 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.552
Molar Refractivity: 164.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3579.35
ACD/KOC (pH 5.5): 12173.24
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3577.99
ACD/KOC (pH 7.4): 12168.62
Polar Surface Area: 140 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 515.4±3.0 cm3

Click to predict properties on the Chemicalize site


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