ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-(2-naphthyl)-L-alanyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide | C33H41N3O5

N-[(Benzyloxy)carbonyl]-3-(2-naphthyl)-L-alanyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID429178

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

benzyl [(2S)-1-{[(2S)-4-methyl-1-{[(2S)-4-methyl-1-oxopentan-2-yl]amino}-1-oxopentan-2-yl]amino}-3-(naphthalen-2-yl)-1-oxopropan-2-yl]carbamate (non-preferred name)
L-Leucinamide, 3-(2-naphthalenyl)-N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1S)-1-formyl-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-(2-naphthyl)-L-alanyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(2-naphthyl)-L-alanyl-N-[(2S)-4-methyl-1-oxo-2-pentanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-(2-naphtyl)-L-alanyl-N-[(2S)-4-méthyl-1-oxo-2-pentanyl]-L-leucinamide [French] [ACD/IUPAC Name]
{(S)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-naphthalen-2-yl-ethyl}-carbamic acid benzyl ester
Cbz-(2-Nal)-Leu-Leu-H
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL326503/
L-Leucinamide, 3-(2-naphthalenyl)-N-[(phenylmethoxy)carbonyl]-L-alanyl-N1-[(1S)-1-formyl-3-methylbutyl]-

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

AIDS113546 [DBID]
AIDS-113546 [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: 808.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.6±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13862.34
ACD/KOC (pH 5.5): 32085.83
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13853.03
ACD/KOC (pH 7.4): 32064.28
Polar Surface Area: 114 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

Click to predict properties on the Chemicalize site


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