ChemSpider 2D Image | D-Alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoethyl)-13,16,28-tribenzyl-37-carboxy-25-[(1S)-1-hydroxyethyl]-31-(1-hydroxyethyl)-34-(hydroxymethyl)-19- (1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacontan-4-yl]glycinamide | C77H106N18O19S2

D-Alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoethyl)-13,16,28-tribenzyl-37-carboxy-25-[(1S)-1-hydroxyethyl]-31-(1-hydroxyethyl)-34-(hydroxymethyl)-19- (1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacontan-4-yl]glycinamide

  • Molecular FormulaC77H106N18O19S2
  • Average mass1651.905 Da
  • Monoisotopic mass1650.732300 Da
  • ChemSpider ID35032574

  • defined stereocentres - 12 of 15 defined stereocentres

More details:

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

D-Alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoethyl)-13,16,28-tribenzyl-37-carboxy-25-[(1S)-1-hydroxyethyl]-31-(1-hydroxyethyl)-34-(hydroxymethyl)-19- (1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacontan-4-yl]glycinamid [German] [ACD/IUPAC Name]
D-Alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoethyl)-13,16,28-tribenzyl-37-carboxy-25-[(1S)-1-hydroxyethyl]-31-(1-hydroxyethyl)-34-(hydroxymethyl)-19- (1H-indol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35-undecaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacontan-4-yl]glycinamide [ACD/IUPAC Name]
D-Alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoéthyl)-13,16,28-tribenzyl-37-carboxy-25-[(1S)-1-hydroxyéthyl]-31-(1-hydroxyéthyl)-34-(hydroxyméthyl)-19- (1H-indol-3-ylméthyl)-5,8,11,14,17,20,23,26,29,32,35-undécaoxo-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undécaazacyclononatriacontan-4-yl]glycinamide [French] [ACD/IUPAC Name]
Glycinamide, D-alanyl-N-[(4S,7R,10R,13R,16R,19R,22R,25R,28R,34R,37S)-7,22-bis(4-aminobutyl)-10-(2-amino-2-oxoethyl)-37-carboxy-25-[(1S)-1-hydroxyethyl]-31-(1-hydroxyethyl)-34-(hydroxymethyl)-19-(1H-in dol-3-ylmethyl)-5,8,11,14,17,20,23,26,29,32,35-undecaoxo-13,16,28-tris(phenylmethyl)-1,2-dithia-6,9,12,15,18,21,24,27,30,33,36-undecaazacyclononatriacont-4-yl]- [ACD/Index Name]
(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)-7,10,13,16,19,22,25,2
growth hormone-inhibiting hormone (GHIH)
Somatostatin [INN]
somatotropin release-inhibiting factor (SRIF)
Somatotropin release-inhibiting hormone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1969.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 341.6±3.0 kJ/mol
Flash Point: 1144.8±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 432.1±0.4 cm3
#H bond acceptors: 37
#H bond donors: 26
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -4.04
ACD/LogD (pH 5.5): -9.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 664 Å2
Polarizability: 171.3±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 1160.1±5.0 cm3

Click to predict properties on the Chemicalize site


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