ChemSpider 2D Image | N-(Ethylsulfonyl)-5-propoxy-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide | C29H39N7O6S

N-(Ethylsulfonyl)-5-propoxy-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide

  • Molecular FormulaC29H39N7O6S
  • Average mass613.728 Da
  • Monoisotopic mass613.268250 Da
  • ChemSpider ID4484180

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
L-Glutamamide, N-(ethylsulfonyl)-5-propoxy-D-tryptophyl-N1-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]- [ACD/Index Name]
N-(Ethylsulfonyl)-5-propoxy-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamid [German] [ACD/IUPAC Name]
N-(Ethylsulfonyl)-5-propoxy-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [ACD/IUPAC Name]
N-(Éthylsulfonyl)-5-propoxy-D-tryptophyl-N1-(4-carbamimidoylbenzyl)-L-glutamamide [French] [ACD/IUPAC Name]
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[(2R)-2-ethanesulfonamido-3-(5-propoxy-1H-indol-3-yl)propanamido]pentanediamide
5PI
N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N1-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE

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: 1.649
Molar Refractivity: 159.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 439.0±7.0 cm3

Click to predict properties on the Chemicalize site


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