ChemSpider 2D Image | L-Seryl-L-prolyl-L-lysyl-L-methionyl-L-valyl-L-glutaminylglycyl-L-seryl-N-{(4R,10S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,49S,52R)-4-{[(2S,5S,8S,11S,14S,17S)-21-amino-5,8-bis(3-carbamimidamidopropyl)
-2-carboxy-1-(1H-imidazol-4-yl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahenicosan-17-yl]carbamoyl}-40-(4-aminobutyl)-49-benzyl-28-[(2S)-2-butanyl]-31,43-bis(3-carbamimidamid
opropyl)-34-(carboxymethyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,3
2,35,38,41,44,47,50-hexadecaazacyclotripentacontan-52-yl}glycinamide | C143H244N50O42S4

L-Seryl-L-prolyl-L-lysyl-L-methionyl-L-valyl-L-glutaminylglycyl-L-seryl-N-{(4R,10S,16S,19S,22S,25S,28S,31S,34S,37S,40S,43S,49S,52R)-4-{[(2S,5S,8S,11S,14S,17S)-21-amino-5,8-bis(3-carbamimidamidopropyl) -2-carboxy-1-(1H-imidazol-4-yl)-11-isobutyl-14-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahenicosan-17-yl]carbamoyl}-40-(4-aminobutyl)-49-benzyl-28-[(2S)-2-butanyl]-31,43-bis(3-carbamimidamid opropyl)-34-(carboxymethyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,3 2,35,38,41,44,47,50-hexadecaazacyclotripentacontan-52-yl}glycinamide

  • Molecular FormulaC143H244N50O42S4
  • Average mass3464.037 Da
  • Monoisotopic mass3461.737793 Da
  • ChemSpider ID57578589
  • defined stereocentres - 22 of 28 defined stereocentres


More details:






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

114471-18-0 [RN]
124584-08-3 [RN]
BNP-32(HUMAN)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 855.1±0.5 cm3
#H bond acceptors: 92
#H bond donors: 65
#Freely Rotating Bonds: 91
#Rule of 5 Violations: 3
ACD/LogP: -16.34
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1614 Å2
Polarizability: 339.0±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 2265.8±7.0 cm3

Click to predict properties on the Chemicalize site






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