ChemSpider 2D Image | L-alpha-Aspartylalanyl-L-alpha-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cysteine | C56H81N17O20S

L-α-Aspartylalanyl-L-α-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cysteine

  • Molecular FormulaC56H81N17O20S
  • Average mass1344.409 Da
  • Monoisotopic mass1343.556396 Da
  • ChemSpider ID32701948

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

L-Cysteine, L-α-aspartylalanyl-L-α-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-[1-[3-[[6-[[(1S)-1-carboxyethyl]amino]-6-oxohexyl]amino]-3-oxopropyl]-2,5-dioxo-3-pyrrolidinyl]- [ACD/Index Name]
L-α-Asparagylalanyl-L-α-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cystein [German] [ACD/IUPAC Name]
L-α-Aspartylalanyl-L-α-glutamylphenylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyethyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cysteine [ACD/IUPAC Name]
L-α-Aspartylalanyl-L-α-glutamylphénylalanyl-L-arginyl-L-histidylglycylglycyl-S-(1-{3-[(6-{[(1S)-1-carboxyéthyl]amino}-6-oxohexyl)amino]-3-oxopropyl}-2,5-dioxo-3-pyrrolidinyl)-L-cystéine [French] [ACD/IUPAC Name]
β-AMYLOID PROTEIN-(1-6)-PEPTIDYLGLYCYLGLYCYL-L-CYSTEINE-3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROLE-1-YL)-N-(6-((2,5-DIOXOPYRROLIDIN-1-YL)OXY)-6-OXOHEXYL)PROPANAMIDE-ALANINE

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

2XE7GZ31Y1 [DBID]
UNII:2XE7GZ31Y1 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 326.9±0.5 cm3
#H bond acceptors: 37
#H bond donors: 21
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: -4.80
ACD/LogD (pH 5.5): -9.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 619 Å2
Polarizability: 129.6±0.5 10-24cm3
Surface Tension: 71.8±7.0 dyne/cm
Molar Volume: 863.2±7.0 cm3

Click to predict properties on the Chemicalize site


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