ChemSpider 2D Image | N-[(2S)-2-Carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide | C17H32N6O3S

N-[(2S)-2-Carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide

  • Molecular FormulaC17H32N6O3S
  • Average mass400.539 Da
  • Monoisotopic mass400.225647 Da
  • ChemSpider ID26330253

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE
L-Alaninamide, N-[(2S)-2-[[(E)-aminoiminomethyl]amino]-2-cyclohexylacetyl]glycyl-N-(3-mercaptopropyl)- [ACD/Index Name]
N-[(2S)-2-Carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Carbamimidamido-2-cyclohexylacetyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide [ACD/IUPAC Name]
N-[(2S)-2-Carbamimidamido-2-cyclohexylacétyl]glycyl-N-(3-sulfanylpropyl)-L-alaninamide [French] [ACD/IUPAC Name]
(2S)-2-{2-[(2S)-2-carbamimidamido-2-cyclohexylacetamido]acetamido}-N-(3-sulfanylpropyl)propanamide

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: 1.638
Molar Refractivity: 104.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 289.7±7.0 cm3

Click to predict properties on the Chemicalize site


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