ChemSpider 2D Image | (3S)-3-({3-[(4-Carbamimidamidobenzoyl)amino]propanoyl}amino)-4-{[(1R)-1-carboxy-2-(1-naphthyl)ethyl]amino}-4-oxobutanoic acid | C28H30N6O7

(3S)-3-({3-[(4-Carbamimidamidobenzoyl)amino]propanoyl}amino)-4-{[(1R)-1-carboxy-2-(1-naphthyl)ethyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC28H30N6O7
  • Average mass562.574 Da
  • Monoisotopic mass562.217590 Da
  • ChemSpider ID23151481

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-({3-[(4-Carbamimidamidobenzoyl)amino]propanoyl}amino)-4-{[(1R)-1-carboxy-2-(1-naphthyl)ethyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
(3S)-3-({3-[(4-Carbamimidamidobenzoyl)amino]propanoyl}amino)-4-{[(1R)-1-carboxy-2-(1-naphthyl)ethyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-({3-[(4-carbamimidamidobenzoyl)amino]propanoyl}amino)-4-{[(1R)-1-carboxy-2-(1-naphtyl)éthyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
N-((S)-1-Carboxy-2-(R)-naphthalen-1-yl-ethyl)-3-[3-(4-guanidino-benzoylamino)-propionylamino]-succinamic acid

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: 1.671
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 390.3±7.0 cm3

Click to predict properties on the Chemicalize site


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