ChemSpider 2D Image | 1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide | C46H65N15O12S2

1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide

  • Molecular FormulaC46H65N15O12S2
  • Average mass1084.232 Da
  • Monoisotopic mass1083.437866 Da
  • ChemSpider ID23014388

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-p rolyl-D-arginylglycinamid [German] [ACD/IUPAC Name]
1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-p rolyl-D-arginylglycinamide [ACD/IUPAC Name]
1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-p rolyl-D-arginylglycinamide [French] [ACD/IUPAC Name]
1-{[(4S,7S,10S,13R,16S,19S)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide
Glycinamide, 1-[[(4S,7S,10S,13R,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazac ycloeicos-4-yl]carbonyl]-D-prolyl-D-arginyl- [ACD/Index Name]
Glycinamide, 1-[[(4S,7S,10S,13R,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]-D-prolyl-D-arginyl-
(2R)-1-[(4S,7S,10S,13R,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
[113-79-1] [RN]
[Arg8]-Vasopressin
AVP
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2935
      Antidiuretic hormone Tocris Bioscience 2935
      Antidiuretic hormone found in most mammalian species. Also acts as a neurotransmitter at synapses in the brain; increases [Ca2+]i in cultured rat hippocampal neurons. Tocris Bioscience 2935
      Peptide Receptors Tocris Bioscience 2935
      Vasopressin Receptors Tocris Bioscience 2935

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 270.1±0.5 cm3
#H bond acceptors: 27
#H bond donors: 20
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -6.49
ACD/LogD (pH 5.5): -9.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 512 Å2
Polarizability: 107.1±0.5 10-24cm3
Surface Tension: 76.6±7.0 dyne/cm
Molar Volume: 680.7±7.0 cm3

Click to predict properties on the Chemicalize site


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