ChemSpider 2D Image | Depreotide | C65H96N16O12S2

Depreotide

  • Molecular FormulaC65H96N16O12S2
  • Average mass1357.688 Da
  • Monoisotopic mass1356.683472 Da
  • ChemSpider ID8074277

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,5R,8S,11S)-11-Amino-2,8-bis(4-aminobutyl)-18-[(2S,5S,8S,11R,14S,17S)-14-(4-aminobutyl)-5-benzyl-8-(4-hydroxybenzyl)-11-(1H-indol-3-ylmethyl)-17-isopropyl-4-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,1 3,16-hexaazacyclooctadecan-2-yl]-4,7,10,14-tetraoxo-5-(sulfanylmethyl)-16-thia-3,6,9,13-tetraazaoctadecan-1-amid [German] [ACD/IUPAC Name]
(2S,5R,8S,11S)-11-Amino-2,8-bis(4-aminobutyl)-18-[(2S,5S,8S,11R,14S,17S)-14-(4-aminobutyl)-5-benzyl-8-(4-hydroxybenzyl)-11-(1H-indol-3-ylmethyl)-17-isopropyl-4-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,1 3,16-hexaazacyclooctadecan-2-yl]-4,7,10,14-tetraoxo-5-(sulfanylmethyl)-16-thia-3,6,9,13-tetraazaoctadecan-1-amide [ACD/IUPAC Name]
(2S,5R,8S,11S)-11-Amino-2,8-bis(4-aminobutyl)-18-[(2S,5S,8S,11R,14S,17S)-14-(4-aminobutyl)-5-benzyl-8-(4-hydroxybenzyl)-11-(1H-indol-3-ylméthyl)-17-isopropyl-4-méthyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,1 3,16-hexaazacyclooctadécan-2-yl]-4,7,10,14-tétraoxo-5-(sulfanylméthyl)-16-thia-3,6,9,13-tétraazaoctadécan-1-amide [French] [ACD/IUPAC Name]
161982-62-3 [RN]
Cyclo(L-homocysteinyl-N-methyl-L-phenylalanyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl) (1®1')-Sulfide with 3-(2-Mercaptoacetamido)-L-alanyl-L-lysyl-L-cysteinyl-L-lysinamide
Cyclo[S-[(5S,8S,11R,14S)-5,18-diamino-8-(4-aminobutyl)-14-(aminocarbonyl)-11-(mercaptomethyl)-2,6,9,12-tetraoxo-3,7,10,13-tetraazaoctadec-1-yl]-L-homocysteyl-N-methyl-L-phenylalanyl-L-tyrosyl-D-trypto phyl-L-lysyl-L-valyl] [ACD/Index Name]
Depreotida [Spanish] [INN]
Depreotide [INN] [USAN]
Dépréotide [French] [INN]
Depreotidum [Latin] [INN]
More...

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

7800 [DBID]
P 829 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1654.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 270.2±3.0 kJ/mol
Flash Point: 954.2±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 365.2±0.3 cm3
#H bond acceptors: 28
#H bond donors: 21
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -7.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 530 Å2
Polarizability: 144.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 1094.5±3.0 cm3

Click to predict properties on the Chemicalize site


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