ChemSpider 2D Image | Glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-{[(2S)-2-{(2-amino-2-oxoethyl)[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]carbonyl}-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-19-yl]glycinamide | C52H74N16O15S2

Glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-{[(2S)-2-{(2-amino-2-oxoethyl)[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]carbonyl}-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-19-yl]glycinamide

  • Molecular FormulaC52H74N16O15S2
  • Average mass1227.372 Da
  • Monoisotopic mass1226.496094 Da
  • ChemSpider ID68057605

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Glycinamide, glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-4-[[(2S)-2-[[[(1S)-5-amino-1-(aminocarbonyl)pentyl](2-amino-2-oxoethyl)amino]carbonyl]-1-pyrrolidinyl]carbonyl]-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-19-yl]- [ACD/Index Name]
Glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-{[(2S)-2-{(2-amino-2-oxoethyl)[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]carbonyl}-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-19-yl]glycinamid [German] [ACD/IUPAC Name]
Glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-4-{[(2S)-2-{(2-amino-2-oxoethyl)[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]carbonyl}-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-19-yl]glycinamide [ACD/IUPAC Name]
Glycylglycyl-N-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoéthyl)-4-{[(2S)-2-{(2-amino-2-oxoéthyl)[(2S)-1,6-diamino-1-oxo-2-hexanyl]carbamoyl}-1-pyrrolidinyl]carbonyl}-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-19-yl]glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1784.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 297.5±3.0 kJ/mol
Flash Point: 1033.0±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 310.4±0.4 cm3
#H bond acceptors: 31
#H bond donors: 21
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -5.87
ACD/LogD (pH 5.5): -10.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 569 Å2
Polarizability: 123.0±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 830.6±5.0 cm3

Click to predict properties on the Chemicalize site


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