ChemSpider 2D Image | N-(3-Furoyl)-L-valyl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamide | C32H49N5O8

N-(3-Furoyl)-L-valyl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamide

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID4449909

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER
L-Leucinamide, N-(3-furanylcarbonyl)-L-valyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]-2-buten-1-yl]- [ACD/Index Name]
N-(3-Furoyl)-L-valyl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamid [German] [ACD/IUPAC Name]
N-(3-Furoyl)-L-valyl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamide [ACD/IUPAC Name]
N-(3-Furoyl)-L-valyl-L-valyl-N-{(2S,3E)-5-éthoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-pentén-2-yl}-L-leucinamide [French] [ACD/IUPAC Name]
9IN
ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-(furan-3-ylformamido)-3-methylbutanamido]-3-methylbutanamido]-4-methylpentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
N-(3-FUROYL)-D-VALYL-L-VALYL-N1-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 936.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 520.3±34.3 °C
Index of Refraction: 1.517
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.75
ACD/KOC (pH 5.5): 294.21
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.75
ACD/KOC (pH 7.4): 294.20
Polar Surface Area: 185 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 550.5±3.0 cm3

Click to predict properties on the Chemicalize site


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