ChemSpider 2D Image | (2S)-3-Cyclohexyl-2-{[(2R)-2-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate | C34H49N3O7

(2S)-3-Cyclohexyl-2-{[(2R)-2-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate

  • Molecular FormulaC34H49N3O7
  • Average mass611.769 Da
  • Monoisotopic mass611.357056 Da
  • ChemSpider ID5037746

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-penténoate de (2S)-3-cyclohexyl-2-{[(2R)-2-{2-[(2S)-2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-4-pentenoyl]amino}propyle [French] [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-{[(2R)-2-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate [ACD/IUPAC Name]
(2S)-3-Cyclohexyl-2-{[(2R)-2-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl-(2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoat [German] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-3-cyclohexyl-2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]propyl ester, (2R)- [ACD/Index Name]
AML1.1_005814
AML1_000744
DDS2_000182

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

Density: 1.1±0.1 g/cm3
Boiling Point: 810.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.9±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 167.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2063.91
ACD/KOC (pH 5.5): 8208.27
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2063.12
ACD/KOC (pH 7.4): 8205.12
Polar Surface Area: 134 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 533.4±3.0 cm3

Click to predict properties on the Chemicalize site


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