Found 1 result

Search term: BFNCBWLBQJYAKU-HOTGVXAUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N,N'-{[(2S,5S)-3,6-Dioxo-2,5-piperazinediyl]di-4,1-butanediyl}bis(4-carbamimidamidobutanamide) | C22H42N10O4

N,N'-{[(2S,5S)-3,6-Dioxo-2,5-piperazinediyl]di-4,1-butanediyl}bis(4-carbamimidamidobutanamide)

  • Molecular FormulaC22H42N10O4
  • Average mass510.634 Da
  • Monoisotopic mass510.339050 Da
  • ChemSpider ID23246113

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Butanamide, N,N'-[[(2S,5S)-3,6-dioxo-2,5-piperazinediyl]di-4,1-butanediyl]bis[4-[(aminoiminomethyl)amino]- [ACD/Index Name]
N,N'-{[(2S,5S)-3,6-Dioxo-2,5-piperazindiyl]di-4,1-butandiyl}bis(4-carbamimidamidobutanamid) [German] [ACD/IUPAC Name]
N,N'-{[(2S,5S)-3,6-Dioxo-2,5-piperazinediyl]di-4,1-butanediyl}bis(4-carbamimidamidobutanamide) [ACD/IUPAC Name]
N,N'-{[(2S,5S)-3,6-Dioxo-2,5-pipérazinediyl]di-4,1-butanediyl}bis(4-carbamimidamidobutanamide) [French] [ACD/IUPAC Name]
N,N'-{[(2S,5S)-3,6-dioxopiperazine-2,5-diyl]dibutane-4,1-diyl}bis(4-carbamimidamidobutanamide)
4-Guanidino-N-(4-{(S)-5-[4-((S)-4-guanidino-butyrylamino)-butyl]-6-oxo-3-oxo-piperazin-2-yl}-butyl)-butyramide
CHEMBL182211

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.43
ACD/LogD (pH 5.5): -7.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 362.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement