ChemSpider 2D Image | N~2~-[(1-Carboxy-2-phenylethyl)carbamoyl]-L-arginyl-N-(5-carbamimidamido-1-oxo-2-pentanyl)-L-valinamide | C27H44N10O6

N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-L-arginyl-N-(5-carbamimidamido-1-oxo-2-pentanyl)-L-valinamide

  • Molecular FormulaC27H44N10O6
  • Average mass604.702 Da
  • Monoisotopic mass604.344543 Da
  • ChemSpider ID5254720

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

L-Valinamide, N2-[[(1-carboxy-2-phenylethyl)amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]- [ACD/Index Name]
L-Valinamide, N2-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-
N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-L-arginyl-N-(5-carbamimidamido-1-oxo-2-pentanyl)-L-valinamid [German] [ACD/IUPAC Name]
N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-L-arginyl-N-(5-carbamimidamido-1-oxo-2-pentanyl)-L-valinamide [ACD/IUPAC Name]
N2-[(1-Carboxy-2-phényléthyl)carbamoyl]-L-arginyl-N-(5-carbamimidamido-1-oxo-2-pentanyl)-L-valinamide [French] [ACD/IUPAC Name]
(7Z,9S,10Z,12S,13Z)-1-amino-16-benzyl-6-formyl-12-(3-guanidinopropyl)-8,11,14-trihydroxy-1-imino-9-isopropyl-2,7,10,13,15-pentaazaheptadeca-7,10,13-trien-17-oic acid
[(S)-1-Carboxy-2-phenylethyl]carbamoyl-L-arginyl-L-valyl-argininal
[23239-88-5] [RN]
[37691-11-5] [RN]
2-({[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-[(5-CARBAMIMIDAMIDO-1-OXOPENTAN-2-YL)CARBAMOYL]-2-METHYLPROPYL]CARBAMOYL}BUTYL]CARBAMOYL}AMINO)-3-PHENYLPROPANOIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MLS000028862 [DBID]
SMR000059007 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.632
    Molar Refractivity: 155.2±0.5 cm3
    #H bond acceptors: 16
    #H bond donors: 13
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 3
    ACD/LogP: 0.29
    ACD/LogD (pH 5.5): -4.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 283 Å2
    Polarizability: 61.5±0.5 10-24cm3
    Surface Tension: 59.5±7.0 dyne/cm
    Molar Volume: 435.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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