ChemSpider 2D Image | N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE | C31H42N4O4

N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID4534975
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Prolinamide, N-methyl-L-alanyl-3-methyl-L-valyl-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-, (4S)- [ACD/Index Name]
N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE
N-Méthyl-L-alanyl-3-méthyl-L-valyl-(4S)-4-phénoxy-N-[(1R)-1,2,3,4-tétrahydro-1-naphtalényl]-L-prolinamide [French] [ACD/IUPAC Name]
N-Methyl-L-alanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-L-prolinamide [ACD/IUPAC Name]
N-Methyl-L-alanyl-3-methyl-L-valyl-(4S)-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalinyl]-L-prolinamid [German] [ACD/IUPAC Name]
(2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
997
Capped Tripeptide Analog 10

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 777.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 14.40
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 122.74
ACD/KOC (pH 7.4): 728.67
Polar Surface Area: 100 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 449.5±5.0 cm3

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