ChemSpider 2D Image | N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-alloisoleucyl}-4-piperidinyl)carbonyl]-L-leucine | C25H39N3O6S

N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-alloisoleucyl}-4-piperidinyl)carbonyl]-L-leucine

  • Molecular FormulaC25H39N3O6S
  • Average mass509.659 Da
  • Monoisotopic mass509.255951 Da
  • ChemSpider ID23718381

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucine, N-[[1-[(2S,3R)-3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-1-oxopentyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-alloisoleucyl}-4-piperidinyl)carbonyl]-L-leucin [German] [ACD/IUPAC Name]
N-[(1-{N-[(4-Methylphenyl)sulfonyl]-L-alloisoleucyl}-4-piperidinyl)carbonyl]-L-leucine [ACD/IUPAC Name]
N-[(1-{N-[(4-Méthylphényl)sulfonyl]-L-alloisoleucyl}-4-pipéridinyl)carbonyl]-L-leucine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.546
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.04
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 424.8±3.0 cm3

Click to predict properties on the Chemicalize site


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