ChemSpider 2D Image | N-(Isobutoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-4-methyl-L-prolinamide | C35H54N6O8

N-(Isobutoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-4-methyl-L-prolinamide

  • Molecular FormulaC35H54N6O8
  • Average mass686.839 Da
  • Monoisotopic mass686.400330 Da
  • ChemSpider ID9716877

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-methyl-N-[(2-methylpropoxy)carbonyl]-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxohexan-3-yl}-4-methyl-L-prolinamide
L-Prolinamide, 3-methyl-N-[(2-methylpropoxy)carbonyl]-L-valyl-N-[1-[2-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]butyl]-4-methyl-, (4R)- [ACD/Index Name]
N-(Isobutoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-4-methyl-L-prolinamid [German] [ACD/IUPAC Name]
N-(Isobutoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-4-methyl-L-prolinamide [ACD/IUPAC Name]
N-(Isobutoxycarbonyl)-3-méthyl-L-valyl-(4R)-N-{1-[(2-{[(1S)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-1,2-dioxo-3-hexanyl}-4-méthyl-L-prolinamide [French] [ACD/IUPAC Name]
N-[(2-methylpropoxy)carbonyl]-(S)-tert-leucyl-N-[1(S)-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-amino]-1,2-dioxoethyl]butyl]-4(R)-methyl-(S)-prolinamide
SCH446211 (SCH6) Analog 10

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: 1.530
Molar Refractivity: 182.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.64
ACD/KOC (pH 5.5): 466.84
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.59
ACD/KOC (pH 7.4): 466.24
Polar Surface Area: 183 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 589.5±3.0 cm3

Click to predict properties on the Chemicalize site


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