ChemSpider 2D Image | (3S)-5-{[(2S)-1-Amino-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid | C35H37N5O7

(3S)-5-{[(2S)-1-Amino-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID23242323

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-5-{[(2S)-1-Amino-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-5-{[(2S)-1-Amino-1-oxo-3-phenyl-2-propanyl](methyl)amino}-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-5-{[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl](methyl)amino}-3-[(2-{3-[(naphthalen-2-ylcarbonyl)amino]-2-oxopyridin-1(2H)-yl}butanoyl)amino]-4-oxopentanoic acid
Acide (3S)-5-{[(2S)-1-amino-1-oxo-3-phényl-2-propanyl](méthyl)amino}-3-({2-[3-(2-naphtoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]methylamino]-3-[[2-[3-[(2-naphthalenylcarbonyl)amino]-2-oxo-1(2H)-pyridinyl]-1-oxobutyl]amino]-4-oxo-, (3S)- [ACD/Index Name]
(S)-5-[((S)-1-Carbamoyl-2-phenyl-ethyl)-methyl-amino]-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
CHEMBL367294
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL367294/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 995.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.1±3.0 kJ/mol
Flash Point: 555.9±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 175.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 30.43
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 469.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement