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Search term: YUAIKFXOTPNSNN-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(4-{[(4-hydroxy-2-methylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)-L-alpha-glutamyl-2-methylalanine | C29H31N5O7

N-(4-{[(4-hydroxy-2-methylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)-L-α-glutamyl-2-methylalanine

  • Molecular FormulaC29H31N5O7
  • Average mass561.586 Da
  • Monoisotopic mass561.222351 Da
  • ChemSpider ID23133277

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Alanine, N-[4-[[(4-hydroxy-2-methyl-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]-L-α-glutamyl-2-methyl- [ACD/Index Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-chinazolinyl)methyl](2-propin-1-yl)amino}benzoyl)-L-α-glutamyl-2-methylalanin [German] [ACD/IUPAC Name]
N-(4-{[(2-Methyl-4-oxo-1,4-dihydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)-L-α-glutamyl-2-methylalanine [ACD/IUPAC Name]
N-(4-{[(2-Méthyl-4-oxo-1,4-dihydro-6-quinazolinyl)méthyl](2-propyn-1-yl)amino}benzoyl)-L-α-glutamyl-2-méthylalanine [French] [ACD/IUPAC Name]
N-(4-{[(4-hydroxy-2-methylquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}benzoyl)-L-α-glutamyl-2-methylalanine
(S)-4-(1-Carboxy-1-methyl-ethylcarbamoyl)-4-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric 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: 881.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 487.1±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

Click to predict properties on the Chemicalize site


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