Found 1 result

Search term: KGDUGVGHEORMQV-DUGSHLAESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-Carboxy-4-sulfo-L-phenylalanyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide | C46H57N9O14S3

N-Carboxy-4-sulfo-L-phenylalanyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC46H57N9O14S3
  • Average mass1056.192 Da
  • Monoisotopic mass1055.318726 Da
  • ChemSpider ID23205164

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Phenylalaninamide, N-carboxy-4-sulfo-L-phenylalanyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl- [ACD/Index Name]
N-Carboxy-4-sulfo-L-phenylalanyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Carboxy-4-sulfo-L-phenylalanyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
N-Carboxy-4-sulfo-L-phénylalanyl-L-méthionylglycyl-L-tryptophyl-L-méthionyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[2-(2-{2-[2-carboxyamino-3-(4-sulfo-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-succinamic acid

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: 1.643
Molar Refractivity: 267.6±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -5.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 106.1±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 739.7±3.0 cm3

Click to predict properties on the Chemicalize site


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