ChemSpider 2D Image | [Sar9,Met(O2)11]-Substance P | C64H100N18O15S

[Sar9,Met(O2)11]-Substance P

  • Molecular FormulaC64H100N18O15S
  • Average mass1393.655 Da
  • Monoisotopic mass1392.733643 Da
  • ChemSpider ID143685

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[Sar9,Met(O2)11]-Substance P
110880-55-2 [RN]
L-Leucinamide, N5-(diaminomethylene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanyl-N-methylglycyl-N-[(1S)-1-(aminocarbonyl)-3-(methylsulfonyl)propyl]- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanyl-N-methylglycyl-N-[(2S)-1-amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanyl-N-methylglycyl-N-[(2S)-1-amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phénylalanyl-L-phénylalanyl-N-méthylglycyl-N-[(2S)-1-amino-4-(méthylsulfonyl)-1-oxo-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
(2S)-2-{[(2S)-1-[(2S)-6-AMINO-2-{[(2S)-1-[(2S)-2-AMINO-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOYL]PYRROLIDIN-2-YL]FORMAMIDO}HEXANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-N-[(1S)-3-CARBAMOYL-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-CARBAMOYL-3-METHANESULFONYLPROPYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}METHYL)(METHYL)CARBAMOYL]-2-PHENYLETHYL]CARBAMOYL}-2-PHENYLETHYL]CARBAMOYL}PROPYL]PENTANEDIAMIDE
(Sar(9))SP sulfone
(Sar(9),met(O2)(11))SP
(Sar9,Met(O2)11)-Substance P
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1178
      Peptide Receptors Tocris Bioscience 1178
      Potent selective NK1 tachykinin receptor agonist. Tocris Bioscience 1178
      Potent, selective NK1 agonist Tocris Bioscience 1178
      Tachykinin Receptors Tocris Bioscience 1178

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: 1.657
Molar Refractivity: 357.1±0.5 cm3
#H bond acceptors: 33
#H bond donors: 21
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -8.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 553 Å2
Polarizability: 141.6±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 971.2±7.0 cm3

Click to predict properties on the Chemicalize site


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