ChemSpider 2D Image | (2R,4R)-1-{N~5~-(Diaminomethylene)-N~2~-[(3-methyl-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylic acid | C23H32N6O5S

(2R,4R)-1-{N5-(Diaminomethylene)-N2-[(3-methyl-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylic acid

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID9137424

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4R)-1-((2S)-5-((aminoiminomethyl)amino)-2-(((3-methyl-8-quinolinyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-2-piperidinecarboxylic acid
(2R,4R)-1-{N5-(Diaminomethylen)-N2-[(3-methyl-8-chinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
(2R,4R)-1-{N5-(Diaminomethylene)-N2-[(3-methyl-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[(2S)-5-[(diaminomethylene)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)- [ACD/Index Name]
951130-92-0 [RN]
Acide (2R,4R)-1-{N5-(diaminométhylène)-N2-[(3-méthyl-8-quinoléinyl)sulfonyl]-L-ornithyl}-4-méthyl-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]
(2R,4R)-1-((S)-5-guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
(2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methylquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid
(2R,4R)-4-METHYL-1-(((3-METHYLQUINOLIN-8-YL)SULFONYL)-L-ARGINYL)PIPERIDINE-2-CARBOXYLIC ACID
1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-2-(((3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)-1-OXOPENTYL)-4-METHYL-2-PIPERIDINECARBOXYLIC ACID, (2R,4R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7RD48GA3UA [DBID]
UNII:7RD48GA3UA [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 806.6±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 123.0±3.0 kJ/mol
    Flash Point: 441.6±37.1 °C
    Index of Refraction: 1.674
    Molar Refractivity: 129.8±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): -1.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 189 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 61.7±7.0 dyne/cm
    Molar Volume: 345.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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