Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | 3-Cyclopropyl-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-alanyl-L-alpha-aspartyl-L-isoleucyl-L-prolinamide | C37H49N7O8

3-Cyclopropyl-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-alanyl-L-α-aspartyl-L-isoleucyl-L-prolinamide

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID30793858

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Cyclopropyl-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-alanyl-L-α-asparagyl-L-isoleucyl-L-prolinamid [German] [ACD/IUPAC Name]
3-Cyclopropyl-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-alanyl-L-α-aspartyl-L-isoleucyl-L-prolinamide [ACD/IUPAC Name]
3-Cyclopropyl-N-[2-(4-{[(2-méthylphényl)carbamoyl]amino}phényl)acétyl]-L-alanyl-L-α-aspartyl-L-isoleucyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 3-cyclopropyl-N-[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]-L-alanyl-L-α-aspartyl-L-isoleucyl- [ACD/Index Name]
Nle-D-I - based peptidomimetic ligand, 28

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1004.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.5±3.0 kJ/mol
Flash Point: 561.2±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 191.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 20.23
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 544.6±3.0 cm3

Click to predict properties on the Chemicalize site


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