Found 16 results

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

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

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID30793856

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-Methylene-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-norvalyl-L-α-aspartyl-L-isoleucyl-L-prolinamide [ACD/IUPAC Name]
4-Méthylène-N-[2-(4-{[(2-méthylphényl)carbamoyl]amino}phényl)acétyl]-L-norvalyl-L-α-aspartyl-L-isoleucyl-L-prolinamide [French] [ACD/IUPAC Name]
4-Methylen-N-[(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-norvalyl-L-α-asparagyl-L-isoleucyl-L-prolinamid [German] [ACD/IUPAC Name]
L-Prolinamide, 4-methylene-N-[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]-L-norvalyl-L-α-aspartyl-L-isoleucyl- [ACD/Index Name]
Nle-D-I - based peptidomimetic ligand, 26

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

Density: 1.3±0.1 g/cm3
Boiling Point: 992.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.6±3.0 kJ/mol
Flash Point: 553.9±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 193.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 23.23
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

Click to predict properties on the Chemicalize site


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