ChemSpider 2D Image | L-Arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide | C63H98N18O13S

L-Arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide

  • Molecular FormulaC63H98N18O13S
  • Average mass1347.630 Da
  • Monoisotopic mass1346.728149 Da
  • ChemSpider ID23216165

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

L-Arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
L-Arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
L-Arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phénylalanyl-L-phénylalanylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
L-Methioninamide, L-arginyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl- [ACD/Index Name]
N5-(diaminomethylidene)-L-ornithyl-D-prolyl-D-lysyl-D-prolyl-D-glutaminyl-D-glutaminyl-D-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide
(2R)-2-{[(2R)-1-[(2R)-6-amino-2-{[(2R)-1-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]pyrrolidin-2-yl]formamido}-N-[(1R)-3-carbamoyl-1-{[(1R)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL265352/
Substance P analogue

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: 1.663
Molar Refractivity: 349.9±0.5 cm3
#H bond acceptors: 31
#H bond donors: 22
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -7.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 544 Å2
Polarizability: 138.7±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 944.4±7.0 cm3

Click to predict properties on the Chemicalize site


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