ChemSpider 2D Image | 1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid | C18H33N7O5

1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid

  • Molecular FormulaC18H33N7O5
  • Average mass427.499 Da
  • Monoisotopic mass427.254303 Da
  • ChemSpider ID26329998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N6-Carbamimidoyl-3-formyl-N2-({4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}carbonyl)-D-lysin [German] [ACD/IUPAC Name]
(3R)-N6-Carbamimidoyl-3-formyl-N2-({4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}carbonyl)-D-lysine [ACD/IUPAC Name]
(3R)-N6-Carbamimidoyl-3-formyl-N2-({4-[(2-méthyl-2-propanyl)carbamoyl]-1-pipérazinyl}carbonyl)-D-lysine [French] [ACD/IUPAC Name]
1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-azetidine-2-carboxylic acid
D-Lysine, N6-[(E)-aminoiminomethyl]-N2-[[4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]carbonyl]-3-formyl-, (3R)- [ACD/Index Name]
(2R,3R)-2-({[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}amino)-6-carbamimidamido-3-formylhexanoic acid
(2R,3R)-2-[4-(tert-butylcarbamoyl)piperazine-1-carbonylamino]-6-carbamimidamido-3-formylhexanoic acid
(2R,3R)-2-{[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]amino}-6-carbamimidamido-3-formylhexanoic acid

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: 1.609
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 312.1±7.0 cm3

Click to predict properties on the Chemicalize site


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