ChemSpider 2D Image | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | C29H39N5O7S

[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID154815

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Butanoic acid, 4-[[(1R)-1-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]-2-oxo-2-(1-piperidinyl)ethyl]amino]-3-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxo-, (3S)- [ACD/Index Name]
N-[(2R)-3-(4-Carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)-2-propanyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagin [German] [ACD/IUPAC Name]
N-[(2R)-3-(4-Carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)-2-propanyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine [ACD/IUPAC Name]
N-[(2R)-3-(4-Carbamimidoylphényl)-1-oxo-1-(1-pipéridinyl)-2-propanyl]-N2-[(4-méthoxy-2,3,6-triméthylphényl)sulfonyl]-L-α-asparagine [French] [ACD/IUPAC Name]
146663-95-8 [RN]
BUTANOIC ACID,4-[[(1R)-1-[[4-(AMINOIMINOMETHYL)PHENYL]METHYL]-2-OXO-2-(1-PIPERIDINYL)ETHYL]AMINO]-3-[[(4-METHOXY-2,3,6-TRIMETHYLPHENYL)SULFONYL]AMINO]-4-OXO-,(3S)-
CCR
CRC200 (CHIRON-BEHRING)
RC-220

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: 1.630
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 200 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 439.2±7.0 cm3

Click to predict properties on the Chemicalize site


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