ChemSpider 2D Image | 3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]-2-biphenylcarboxylic acid | C36H37N5O4

3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]-2-biphenylcarboxylic acid

  • Molecular FormulaC36H37N5O4
  • Average mass603.710 Da
  • Monoisotopic mass603.284546 Da
  • ChemSpider ID31130176

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4-(aminocarbonyl)-3'-[(2S,4R)-6-(aminoiminomethyl)-1,2,3,4-tetrahydro-4-methyl-4-phenyl-2-quinolinyl]-5'-[(3-methyl-1-oxobutyl)amino]- [ACD/Index Name]
3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-chinolinyl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]-2-biphenylcarboxylic acid [ACD/IUPAC Name]
3'-[(2s,4r)-6-Carbamimidoyl-4-Methyl-4-Phenyl-1,2,3,4-Tetrahydroquinolin-2-Yl]-4-Carbamoyl-5'-[(3-Methylbutanoyl)amino]biphenyl-2-Carboxylic Acid
Acide 3'-[(2S,4R)-6-carbamimidoyl-4-méthyl-4-phényl-1,2,3,4-tétrahydro-2-quinoléinyl]-4-carbamoyl-5'-[(3-méthylbutanoyl)amino]-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
1004551-41-0 [RN]
1T5
2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]-5-(3-methylbutanoylamino)phenyl]-5-carbamoylbenzoic acid
BMS-654457

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 171.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 6.55
ACD/KOC (pH 5.5): 26.47
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 25.00
Polar Surface Area: 171 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 460.0±7.0 cm3

Click to predict properties on the Chemicalize site


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