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Search term: AMUOMYNSVLFGSU-NGKXAEKTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{1-Carboxy-4-[(4-iodophenyl)amino]-4-oxobutyl}-L-alanyl-L-proline | C19H24IN3O6

N-{1-Carboxy-4-[(4-iodophenyl)amino]-4-oxobutyl}-L-alanyl-L-proline

  • Molecular FormulaC19H24IN3O6
  • Average mass517.315 Da
  • Monoisotopic mass517.070984 Da
  • ChemSpider ID23169256

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Proline, N-[1-carboxy-4-[(4-iodophenyl)amino]-4-oxobutyl]-L-alanyl- [ACD/Index Name]
N-{1-Carboxy-4-[(4-iodophenyl)amino]-4-oxobutyl}-L-alanyl-L-proline [ACD/IUPAC Name]
N-{1-Carboxy-4-[(4-iodophényl)amino]-4-oxobutyl}-L-alanyl-L-proline [French] [ACD/IUPAC Name]
N-{1-Carboxy-4-[(4-iodphenyl)amino]-4-oxobutyl}-L-alanyl-L-prolin [German] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-({1-carboxy-3-[(4-iodophenyl)carbamoyl]propyl}amino)propanoyl]pyrrolidine-2-carboxylic acid
1-{2-[1-Carboxy-3-(4-iodo-phenylcarbamoyl)-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 775.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.7±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

Click to predict properties on the Chemicalize site


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