ChemSpider 2D Image | (2S)-2-Acetamido-N-[(1S)-2-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-1-(4-carbamimidamidophenyl)-2-oxoethyl]propanamide (non-preferred name) | C17H25N7O4

(2S)-2-Acetamido-N-[(1S)-2-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-1-(4-carbamimidamidophenyl)-2-oxoethyl]propanamide (non-preferred name)

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID76780445

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Acetamido-N-[(1S)-2-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-1-(4-carbamimidamidophenyl)-2-oxoethyl]propanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-Acetamido-N-[(1S)-2-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-1-(4-carbamimidamidophenyl)-2-oxoethyl]propanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Acétamido-N-[(1S)-2-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-1-(4-carbamimidamidophényl)-2-oxoéthyl]propanamide (non-preferred name) [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[(2S)-2-(acetylamino)-1-oxopropyl]amino]-4-[(aminoiminomethyl)amino]-N-[(1S)-2-amino-1-methyl-2-oxoethyl]-, (αS)- [ACD/Index Name]

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: 1.646
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 273.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement