ChemSpider 2D Image | N-(Benzylsulfonyl)-D-phenylalanyl-N-[cis-4-(2-amino-2-iminoethyl)cyclohexyl]-L-prolinamide | C29H39N5O4S

N-(Benzylsulfonyl)-D-phenylalanyl-N-[cis-4-(2-amino-2-iminoethyl)cyclohexyl]-L-prolinamide

  • Molecular FormulaC29H39N5O4S
  • Average mass553.716 Da
  • Monoisotopic mass553.272278 Da
  • ChemSpider ID23214644

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Prolinamide, N-[(phenylmethyl)sulfonyl]-D-phenylalanyl-N-[cis-4-(2-amino-2-iminoethyl)cyclohexyl]- [ACD/Index Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-[cis-4-(2-amino-2-iminoethyl)cyclohexyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-[cis-4-(2-amino-2-iminoethyl)cyclohexyl]-L-prolinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phénylalanyl-N-[cis-4-(2-amino-2-iminoéthyl)cyclohexyl]-L-prolinamide [French] [ACD/IUPAC Name]
(S)-1-((R)-3-Phenyl-2-phenylmethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid (4-carbamimidoylmethyl-cyclohexyl)-amide
CHEMBL138049

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: 1.653
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 154 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 413.3±7.0 cm3

Click to predict properties on the Chemicalize site


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