ChemSpider 2D Image | (2R,3S)-N~1~-[(2S)-3-{4-[(Diaminomethylene)amino]phenyl}-1-(methylamino)-1-oxo-2-propanyl]-N~4~-hydroxy-2-isobutyl-3-(3-phenylpropyl)succinamide | C28H40N6O4

(2R,3S)-N1-[(2S)-3-{4-[(Diaminomethylene)amino]phenyl}-1-(methylamino)-1-oxo-2-propanyl]-N4-hydroxy-2-isobutyl-3-(3-phenylpropyl)succinamide

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID8567524

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-N1-[(2S)-3-{4-[(Diaminomethylen)amino]phenyl}-1-(methylamino)-1-oxo-2-propanyl]-N4-hydroxy-2-isobutyl-3-(3-phenylpropyl)succinamid [German] [ACD/IUPAC Name]
(2R,3S)-N1-[(2S)-3-{4-[(Diaminomethylene)amino]phenyl}-1-(methylamino)-1-oxo-2-propanyl]-N4-hydroxy-2-isobutyl-3-(3-phenylpropyl)succinamide [ACD/IUPAC Name]
(2R,3S)-N1-[(2S)-3-{4-[(Diaminométhylène)amino]phényl}-1-(méthylamino)-1-oxo-2-propanyl]-N4-hydroxy-2-isobutyl-3-(3-phénylpropyl)succinamide [French] [ACD/IUPAC Name]
Butanediamide, N1-[(1S)-1-[[4-[(diaminomethylene)amino]phenyl]methyl]-2-(methylamino)-2-oxoethyl]-N4-hydroxy-2-(2-methylpropyl)-3-(3-phenylpropyl)-, (2R,3S)- [ACD/Index Name]
(2R,3S)-N1-[(2S)-3-(4-carbamimidamidophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N4-hydroxy-2-(2-methylpropyl)-3-(3-phenylpropyl)butanediamide
(2R,3S)-N1-((S)-3-(4-guanidinophenyl)-1-(methylamino)-1-oxopropan-2-yl)-N4-hydroxy-2-isobutyl-3-(3-phenylpropyl)succinamide
CHEMBL516206
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516206/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 172 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 424.6±7.0 cm3

Click to predict properties on the Chemicalize site


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