ChemSpider 2D Image | L-Tyrosyl-N-({[(2S)-4-chloro-3-oxo-1-phenyl-2-butanyl](methyl)amino}acetyl)-D-alaninamide | C25H31ClN4O5

L-Tyrosyl-N-({[(2S)-4-chloro-3-oxo-1-phenyl-2-butanyl](methyl)amino}acetyl)-D-alaninamide

  • Molecular FormulaC25H31ClN4O5
  • Average mass502.990 Da
  • Monoisotopic mass502.198303 Da
  • ChemSpider ID4589326

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Alaninamide, L-tyrosyl-N-[2-[[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]methylamino]acetyl]- [ACD/Index Name]
L-Tyrosyl-N-({[(2S)-4-chlor-3-oxo-1-phenyl-2-butanyl](methyl)amino}acetyl)-D-alaninamid [German] [ACD/IUPAC Name]
L-Tyrosyl-N-({[(2S)-4-chloro-3-oxo-1-phenyl-2-butanyl](methyl)amino}acetyl)-D-alaninamide [ACD/IUPAC Name]
L-Tyrosyl-N-(2-{[(2S)-4-chloro-3-oxo-1-phényl-2-butanyl](méthyl)amino}acétyl)-D-alaninamide [French] [ACD/IUPAC Name]
(2S)-2-AMINO-N-[(2R)-1-(2-{[(2S)-4-CHLORO-3-OXO-1-PHENYLBUTAN-2-YL](METHYL)AMINO}ACETAMIDO)-1-OXOPROPAN-2-YL]-3-(4-HYDROXYPHENYL)PROPANAMIDE
(S)-2-Amino-N-((R)-1-(2-(((S)-4-chloro-3-oxo-1-phenylbutan-2-yl)(methyl)amino)acetamido)-1-oxopropan-2-yl)-3-(4-hydroxyphenyl)propanamide
109377-04-0 [RN]
DAMCK
DAMK
Tyr-ala-gly-mephe chloromethyl ketone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 756.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 411.2±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 70.65
Polar Surface Area: 142 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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