ChemSpider 2D Image | N-({(2S)-5-[(Diaminomethylene)amino]-1-[(N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valyl)amino]-1-oxo-2-pentanyl}carbamoyl)phenylalanine | C27H44N10O6

N-({(2S)-5-[(Diaminomethylene)amino]-1-[(N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valyl)amino]-1-oxo-2-pentanyl}carbamoyl)phenylalanine

  • Molecular FormulaC27H44N10O6
  • Average mass604.702 Da
  • Monoisotopic mass604.344543 Da
  • ChemSpider ID4591469

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

N-({(2S)-5-[(Diaminomethylen)amino]-1-[(N-{5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}-L-valyl)amino]-1-oxo-2-pentanyl}carbamoyl)phenylalanin [German] [ACD/IUPAC Name]
N-({(2S)-5-[(Diaminomethylene)amino]-1-[(N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valyl)amino]-1-oxo-2-pentanyl}carbamoyl)phenylalanine [ACD/IUPAC Name]
N-({(2S)-5-[(Diaminométhylène)amino]-1-[(N-{5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}-L-valyl)amino]-1-oxo-2-pentanyl}carbamoyl)phénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-[(3S,7S)-14,14-diamino-3-[3-[(diaminomethylene)amino]propyl]-9-formyl-7-(1-methylethyl)-1,4,6-trioxo-2,5,8,13-tetraazatetradec-13-en-1-yl]- [ACD/Index 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: 1.632
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 435.1±7.0 cm3

Click to predict properties on the Chemicalize site


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