ChemSpider 2D Image | Substance P | C63H98N18O13S

Substance P

  • Molecular FormulaC63H98N18O13S
  • Average mass1347.630 Da
  • Monoisotopic mass1346.728149 Da
  • ChemSpider ID33558
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

Substance P [Wiki]
L-Methioninamide, N5-(diaminomethylene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phénylalanyl-L-phénylalanylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(1S)-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
(SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
[33507-63-0]
11035-08-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS114081 [DBID]
AIDS-114081 [DBID]
CCRIS 7229 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1156
      Peptide Receptors Tocris Bioscience 1156
      Sensory neuropeptide and inflammatory mediator. Exerts excitatory effects on central and peripheral neurons, constricts bronchioles and is involved in pain transmission. Tocris Bioscience 1156
      Sensory neuropeptide; inflammatory mediator Tocris Bioscience 1156
      Tachykinin Receptors Tocris Bioscience 1156

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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