ChemSpider 2D Image | N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N~2~-(2-naphthylsulfonyl)-L-asparaginyl-N-benzylglycine | C30H36N6O6S

N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-benzylglycine

  • Molecular FormulaC30H36N6O6S
  • Average mass608.708 Da
  • Monoisotopic mass608.241699 Da
  • ChemSpider ID8207199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid
Glycine, N-[[(3S)-1-[(E)-aminoiminomethyl]-3-piperidinyl]methyl]-N2-(2-naphthalenylsulfonyl)-L-asparaginyl-N-(phenylmethyl)- [ACD/Index Name]
N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-benzylglycin [German] [ACD/IUPAC Name]
N-{[(3S)-1-Carbamimidoyl-3-piperidinyl]methyl}-N2-(2-naphthylsulfonyl)-L-asparaginyl-N-benzylglycine [ACD/IUPAC Name]
N-{[(3S)-1-Carbamimidoyl-3-pipéridinyl]méthyl}-N2-(2-naphtylsulfonyl)-L-asparaginyl-N-benzylglycine [French] [ACD/IUPAC Name]
N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N2-(naphthalen-2-ylsulfonyl)-L-asparaginyl-N-benzylglycine
9MQ

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: 1.667
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 434.5±7.0 cm3

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