ChemSpider 2D Image | Somatostatin | C76H104N18O19S2

Somatostatin

  • Molecular FormulaC76H104N18O19S2
  • Average mass1637.878 Da
  • Monoisotopic mass1636.716675 Da
  • ChemSpider ID17286507

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

Glycinamide, L-alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmet hyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-13,25,28-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacont-37-yl]- [ACD/Index Name]
Glycinamide, L-alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-13,25,28-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacont-37-yl]-
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3 -ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamid [German] [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3 -ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamide [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoéthyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyéthyl]-7-(hydroxyméthyl)-22-(1H-indol-3 -ylméthyl)-6,9,12,15,18,21,24,27,30,33,36-undécaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undécaazacyclooctatriacontan-37-yl]glycinamide [French] [ACD/IUPAC Name]
L-Alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-37-yl]glycinamide
Somatostatin [INN]
(5S,8R,14R,17R,20R,23R,26R,29R,32R,35R)-20,35-bis(4-aminobutyl)-38-{2-[(2R)-2-aminopropanamido]acetamido}-14,26,29-tribenzyl-32-(carbamoylmethyl)-11-(1-hydroxyethyl)-17-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-23-(1H-indol-3-ylmethyl)-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacontane-5-carboxylic acidAla-Gly-cyclo-[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys]
[38916-34-6] [RN]
[51110-01-1] [RN]
More...

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

38916-34-6 51110-01-1 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A fourteen-membered heterodetic cyclic peptide comprising the sequence Ala-Gly-Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys cyclised by a disulfide bridge between the two Cys residues at positions 3 and 14. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64628, CHEBI:64628

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1157
      Endogenous peptide; inhibits the release of growth hormone, insulin and glucagon. Inhibits voltage-dependent calcium channels. Tocris Bioscience 1157
      Influences growth hormone release Tocris Bioscience 1157
      Peptide Receptors Tocris Bioscience 1157
      Somatostatin Receptors Tocris Bioscience 1157

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1970.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 342.0±3.0 kJ/mol
Flash Point: 1145.7±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 427.4±0.4 cm3
#H bond acceptors: 37
#H bond donors: 26
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -9.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 664 Å2
Polarizability: 169.4±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 1144.2±5.0 cm3

Click to predict properties on the Chemicalize site


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