Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | Benzyl [(2S)-1-{[(2R)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-4-(2-naphthyl)-2-butanyl]amino}-1-oxo-2-propanyl]carbamate | C36H43N3O6

Benzyl [(2S)-1-{[(2R)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-4-(2-naphthyl)-2-butanyl]amino}-1-oxo-2-propanyl]carbamate

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID29414546

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(2S)-1-{[(2R)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-Butanyl]-4-oxo-2-oxétanyl}carbonyl)amino]cyclopropyl}-4-(2-naphtyl)-2-butanyl]amino}-1-oxo-2-propanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-1-{[(2R)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-4-(2-naphthyl)-2-butanyl]amino}-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-1-{[(2R)-1-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-4-(2-naphthyl)-2-butanyl]amino}-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-methyl-2-[[(1R)-1-[[(1S,2S)-2-[[[(2R,3S)-3-[(1S)-1-methylpropyl]-4-oxo-2-oxetanyl]carbonyl]amino]cyclopropyl]methyl]-3-(2-naphthalenyl)propyl]amino]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 875.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 483.1±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3151.80
ACD/KOC (pH 5.5): 11113.79
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3150.84
ACD/KOC (pH 7.4): 11110.40
Polar Surface Area: 123 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 495.7±5.0 cm3

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