ChemSpider 2D Image | (2E,4S)-4-{[N-({(2S)-1-[2-(3-Methoxyphenyl)-2-oxoethyl]-2-piperidinyl}carbonyl)-L-phenylalanyl]amino}-5-methyl-2-hexen-1-yl acetate | C33H43N3O6

(2E,4S)-4-{[N-({(2S)-1-[2-(3-Methoxyphenyl)-2-oxoethyl]-2-piperidinyl}carbonyl)-L-phenylalanyl]amino}-5-methyl-2-hexen-1-yl acetate

  • Molecular FormulaC33H43N3O6
  • Average mass577.711 Da
  • Monoisotopic mass577.315186 Da
  • ChemSpider ID8636223

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4S)-4-{[N-({(2S)-1-[2-(3-Methoxyphenyl)-2-oxoethyl]-2-piperidinyl}carbonyl)-L-phenylalanyl]amino}-5-methyl-2-hexen-1-yl acetate [ACD/IUPAC Name]
(2E,4S)-4-{[N-({(2S)-1-[2-(3-Methoxyphenyl)-2-oxoethyl]-2-piperidinyl}carbonyl)-L-phenylalanyl]amino}-5-methyl-2-hexen-1-yl-acetat [German] [ACD/IUPAC Name]
(2E,4S)-4-{[N-({(2S)-1-[2-(3-methoxyphenyl)-2-oxoethyl]piperidin-2-yl}carbonyl)-L-phenylalanyl]amino}-5-methylhex-2-en-1-yl acetate
2-Piperidinecarboxamide, N-[(1S)-2-[[(1S,2E)-4-(acetyloxy)-1-(1-methylethyl)-2-buten-1-yl]amino]-2-oxo-1-(phenylmethyl)ethyl]-1-[2-(3-methoxyphenyl)-2-oxoethyl]-, (2S)- [ACD/Index Name]
Acétate de (2E,4S)-4-{[N-({(2S)-1-[2-(3-méthoxyphényl)-2-oxoéthyl]-2-pipéridinyl}carbonyl)-L-phénylalanyl]amino}-5-méthyl-2-hexén-1-yle [French] [ACD/IUPAC Name]
Acetic acid 4-[2-({1-[2-(3-methoxy-phenyl)-2-oxo-ethyl]-piperidine-2-carbonyl}-amino)-3-phenyl-propionylamino]-5-methyl-hex-2-enyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341765/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 787.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.9±32.9 °C
Index of Refraction: 1.551
Molar Refractivity: 161.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 588.23
ACD/KOC (pH 5.5): 2932.07
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 925.70
ACD/KOC (pH 7.4): 4614.15
Polar Surface Area: 114 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 505.0±3.0 cm3

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