ChemSpider 2D Image | Sincalide | C49H62N10O16S3

Sincalide

  • Molecular FormulaC49H62N10O16S3
  • Average mass1143.269 Da
  • Monoisotopic mass1142.350708 Da
  • ChemSpider ID8009168

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,6S,9S,15S,18S,21S)-21-Amino-3-{[(1S)-2-amino-1-benzyl-2-oxoethyl]carbamoyl}-9-(1H-indol-3-ylmethyl)-6,15-bis[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-18-[4-(sulfooxy)benzyl]-4,7,10,13,16,19-hexaazatricosan-1,23-disäure [German]
(3S,6S,9S,15S,18S,21S)-21-amino-3-{[(1S)-2-amino-1-benzyl-2-oxoethyl]carbamoyl}-9-(1H-indol-3-ylmethyl)-6,15-bis[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-18-[4-(sulfooxy)benzyl]-4,7,10,13,16,19-hexaazatricosane-1,23-dioic acid
246-639-0 [EINECS]
25126-32-3 [RN]
5-L-methionine-3-10-caerulein
acide (3S,6S,9S,15S,18S,21S)-21-amino-3-{[(1S)-2-amino-1-benzyl-2-oxoéthyl]carbamoyl}-9-(1H-indol-3-ylméthyl)-6,15-bis[2-(méthylsulfanyl)éthyl]-5,8,11,14,17,20-hexaoxo-18-[4-(sulfooxy)benzyl]-4,7,10,13,16,19-hexaazatricosane-1,23-dioïque [French]
CCK Octapeptide (sulfated)
cck-8
CCKC-Terminal Octapeptide
Cholecystokinin C-terminal Octapeptide
More...

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

3617 [DBID]
SQ 19844 [DBID]
5231801 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1166
      Cholecystokinin (CCK) Receptors Tocris Bioscience 1166
      C-terminal octapeptide of CCK Tocris Bioscience 1166
      Endogenous C-terminal octapeptide of CCK found in the central nervous system and gastrointestinal tract. Non-sulfated CCK Octapeptide (Cat. No. 1150) also available. Tocris Bioscience 1166
      Endogenous C-terminal octapeptide of CCK found in the central nervous system and gastrointestinal tract. Non-sulfated Peptide also available. Tocris Bioscience 1166
      Peptide Receptors Tocris Bioscience 1166

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: 1.643
Molar Refractivity: 287.0±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 486 Å2
Polarizability: 113.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 793.7±3.0 cm3

Click to predict properties on the Chemicalize site


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