ChemSpider 2D Image | BMS-363131 | C28H40N6O5

BMS-363131

  • Molecular FormulaC28H40N6O5
  • Average mass540.654 Da
  • Monoisotopic mass540.306030 Da
  • ChemSpider ID8522717

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-3-{[(3R)-1-Carbamimidoyl-3-piperidinyl]methyl}-4-oxo-1-{[4-(6-phenylhexanoyl)-1-piperazinyl]carbonyl}-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-3-{[(3R)-1-Carbamimidoyl-3-piperidinyl]methyl}-4-oxo-1-{[4-(6-phenylhexanoyl)-1-piperazinyl]carbonyl}-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R)-3-{[(3R)-1-carbamimidoylpiperidin-3-yl]methyl}-4-oxo-1-{[4-(6-phenylhexanoyl)piperazin-1-yl]carbonyl}azetidine-2-carboxylic acid
2-Azetidinecarboxylic acid, 3-[[(3R)-1-[(E)-aminoiminomethyl]-3-piperidinyl]methyl]-4-oxo-1-[[4-(1-oxo-6-phenylhexyl)-1-piperazinyl]carbonyl]-, (2S,3R)- [ACD/Index Name]
384829-65-6 [RN]
Acide (2S,3R)-3-{[(3R)-1-carbamimidoyl-3-pipéridinyl]méthyl}-4-oxo-1-{[4-(6-phénylhexanoyl)-1-pipérazinyl]carbonyl}-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
BMS-363131
(2S,3R)-3-((R)-1-Carbamimidoyl-piperidin-3-ylmethyl)-4-oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-1-carbonyl]-azetidine-2-carboxylic acid
(2S,3R)-3-(1-Carbamimidoyl-piperidin-3-ylmethyl)-4-oxo-1-[4-((R)-6-phenyl-hexanoyl)-piperazine-1-carbonyl]-azetidine-2-carboxylic acid
(2S,3R)-3-[[(3R)-1-amidino-3-piperidyl]methyl]-4-keto-1-[4-(6-phenylhexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid
More...

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

82AT6RBC74 [DBID]
UNII:82AT6RBC74 [DBID]
UNII-82AT6RBC74 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.8±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 145.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 391.7±7.0 cm3

Click to predict properties on the Chemicalize site


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