ChemSpider 2D Image | N-(Sulfanylacetyl)-D-phenylalanyl-N-{(3S)-6-[(diaminomethylene)amino]-2,2-dihydroxy-3-hexanyl}-L-prolinamide | C23H36N6O5S

N-(Sulfanylacetyl)-D-phenylalanyl-N-{(3S)-6-[(diaminomethylene)amino]-2,2-dihydroxy-3-hexanyl}-L-prolinamide

  • Molecular FormulaC23H36N6O5S
  • Average mass508.634 Da
  • Monoisotopic mass508.246796 Da
  • ChemSpider ID4484013

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-(2-mercaptoacetyl)-D-phenylalanyl-N-[(1S)-4-[(diaminomethylene)amino]-1-(1,1-dihydroxyethyl)butyl]- [ACD/Index Name]
N-(2-Sulfanylacétyl)-D-phénylalanyl-N-{(3S)-6-[(diaminométhylène)amino]-2,2-dihydroxy-3-hexanyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-(Sulfanylacetyl)-D-phenylalanyl-N-{(3S)-6-[(diaminomethylen)amino]-2,2-dihydroxy-3-hexanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-(Sulfanylacetyl)-D-phenylalanyl-N-{(3S)-6-[(diaminomethylene)amino]-2,2-dihydroxy-3-hexanyl}-L-prolinamide [ACD/IUPAC Name]
0ZJ

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement