Found 4 results

Search term: MF = 'C_{49}H_{73}N_{9}O_{9}'
ChemSpider 2D Image | N~2~-[{(2S,3R)-4-Cyclohexyl-2-hydroxy-3-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-3-[(4S)-4H-imidazol-4-yl]-D-alanyl)amino]butyl}(isopropyl)carbamoyl]-L-lysyl-L-phenylalanine | C49H73N9O9

N2-[{(2S,3R)-4-Cyclohexyl-2-hydroxy-3-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-3-[(4S)-4H-imidazol-4-yl]-D-alanyl)amino]butyl}(isopropyl)carbamoyl]-L-lysyl-L-phenylalanine

  • Molecular FormulaC49H73N9O9
  • Average mass932.159 Da
  • Monoisotopic mass931.553101 Da
  • ChemSpider ID88297390

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Phenylalanine, N2-[(4S,5R,8R,11R)-5-(cyclohexylmethyl)-4-hydroxy-8-[(4S)-4H-imidazol-4-ylmethyl]-15,15-dimethyl-2-(1-methylethyl)-1,7,10,13-tetraoxo-11-(phenylmethyl)-14-oxa-2,6,9,12-tetraazahexad ec-1-yl]-L-lysyl- [ACD/Index Name]
N2-[{(2S,3R)-4-Cyclohexyl-2-hydroxy-3-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-3-[(4S)-4H-imidazol-4-yl]-D-alanyl)amino]butyl}(isopropyl)carbamoyl]-L-lysyl-L-phenylalanin [German] [ACD/IUPAC Name]
N2-[{(2S,3R)-4-Cyclohexyl-2-hydroxy-3-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanyl-3-[(4S)-4H-imidazol-4-yl]-D-alanyl)amino]butyl}(isopropyl)carbamoyl]-L-lysyl-L-phenylalanine [ACD/IUPAC Name]
N2-[{(2S,3R)-4-Cyclohexyl-2-hydroxy-3-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-phénylalanyl-3-[(4S)-4H-imidazol-4-yl]-D-alanyl)amino]butyl}(isopropyl)carbamoyl]-L-lysyl-L-phénylalanine [French] [ACD/IUPAC Name]
105116-61-8 [RN]

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

CP 69799 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 253.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 5.40
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 7.4): 26.04
Polar Surface Area: 266 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 730.5±7.0 cm3

Click to predict properties on the Chemicalize site


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