ChemSpider 2D Image | ceruletide | C58H73N13O21S2

ceruletide

  • Molecular FormulaC58H73N13O21S2
  • Average mass1352.405 Da
  • Monoisotopic mass1351.448486 Da
  • ChemSpider ID10481982

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-3-hydroxybutanamido]acetamido
5-Oxo-L-prolyl-L-glutaminyl-L-α-asparagyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-glutaminyl-L-α-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamidato
5-Oxo-L-prolyl-L-glutaminyl-L-α-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-glutaminyl-L-α-aspartyl-O-sulfo-L-tyrosyl-L-thréonylglycyl-L-tryptophyl-L-méthionyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
888Y08971B
CAERULEIN
Cerulein
ceruletida [Spanish] [INN]
ceruletide [BAN] [INN] [USAN]
More...

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

3351 [DBID]
5422487 [DBID]
CCRIS 3063 [DBID]
  • Miscellaneous

    • Chemical Class:

      A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Aus tralian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intesti ne (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59219, CHEBI:59219

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 331.5±0.4 cm3
#H bond acceptors: 34
#H bond donors: 19
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -8.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 585 Å2
Polarizability: 131.4±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 923.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement