ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenyl-2-butanyl]-L-leucinamide | C31H42N4O7

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenyl-2-butanyl]-L-leucinamide

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID8091977

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-3-(methoxyamino)-2,3-dioxo-1-(phenylmethyl)propyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenyl-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenyl-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(méthoxyamino)-3,4-dioxo-1-phényl-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-L-leucinamide
{(S)-1-[(S)-1-((S)-1-Benzyl-2-methoxycarbamoyl-2-oxo-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CHEMBL316135
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL316135/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.541
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 346.98
ACD/KOC (pH 5.5): 2290.61
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 346.84
ACD/KOC (pH 7.4): 2289.74
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 499.0±3.0 cm3

Click to predict properties on the Chemicalize site


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