ChemSpider 2D Image | N-{[1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}phenylalanine | C31H41N7O6

N-{[1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}phenylalanine

  • Molecular FormulaC31H41N7O6
  • Average mass607.701 Da
  • Monoisotopic mass607.311829 Da
  • ChemSpider ID93476

More details:

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

N-{[1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}phenylalanin [German] [ACD/IUPAC Name]
N-{[1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}phenylalanine [ACD/IUPAC Name]
N-{[1-(2-Amino-3,4,5,6-tétrahydro-4-pyrimidinyl)-2-({4-méthyl-1-oxo-1-[(1-oxo-3-phényl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoéthyl]carbamoyl}phénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-[[[1-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-[[1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-3-methylbutyl]amino]-2-oxoethyl]amino]carbonyl]- [ACD/Index Name]
(2R)-2-[[(1R)-1-[(6R)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
2-({[(2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL)({3-METHYL-1-[(1-OXO-3-PHENYLPROPAN-2-YL)CARBAMOYL]BUTYL}CARBAMOYL)METHYL]CARBAMOYL}AMINO)-3-PHENYLPROPANOIC ACID
2-[(N-{(2-imino(1,3-diazaperhydroin-4-yl))[N-(3-methyl-1-{N-[2-oxo-1-benzylethyl]carbamoyl}butyl)carbamoyl]methyl}carbamoyl)amino]-3-phenylpropanoic acid
9076-44-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 452.0±7.0 cm3

Click to predict properties on the Chemicalize site


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