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-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
11035-08-8 [RN]
12769-48-1 [RN]
251-545-8 [EINECS]
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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

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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