ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(4S)-7-[(diaminomethylene)amino]-1-(4-methyl-2-oxo-2H-chromen-7-yl)-1,3-dioxo-4-heptanyl]-L-alaninamide | C32H38N6O8

N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(4S)-7-[(diaminomethylene)amino]-1-(4-methyl-2-oxo-2H-chromen-7-yl)-1,3-dioxo-4-heptanyl]-L-alaninamide

  • Molecular FormulaC32H38N6O8
  • Average mass634.680 Da
  • Monoisotopic mass634.275085 Da
  • ChemSpider ID9529501

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1S)-1-[3-[(diaminomethylene)amino]propyl]-4-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2,4-dioxobutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(4S)-7-[(diaminomethylen)amino]-1-(4-methyl-2-oxo-2H-chromen-7-yl)-1,3-dioxo-4-heptanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(4S)-7-[(diaminomethylene)amino]-1-(4-methyl-2-oxo-2H-chromen-7-yl)-1,3-dioxo-4-heptanyl]-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(4S)-7-[(diaminométhylène)amino]-1-(4-méthyl-2-oxo-2H-chromén-7-yl)-1,3-dioxo-4-heptanyl]-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.59
Polar Surface Area: 221 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 467.4±7.0 cm3

Click to predict properties on the Chemicalize site


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