Found 1 result

Search term: CJOQKLGIDKSJDA-VABKMULXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-benzoyl-N-{4-[(2S,5S)-5-{4-[(4-carbamimidamidobutanoyl)amino]butyl}-3,6-dioxopiperazin-2-yl]butyl}-L-argininamide | C30H49N11O5

N2-benzoyl-N-{4-[(2S,5S)-5-{4-[(4-carbamimidamidobutanoyl)amino]butyl}-3,6-dioxopiperazin-2-yl]butyl}-L-argininamide

  • Molecular FormulaC30H49N11O5
  • Average mass643.781 Da
  • Monoisotopic mass643.391785 Da
  • ChemSpider ID9529158

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[[[4-[(2S,5S)-5-[4-[[4-[(diaminomethylene)amino]-1-oxobutyl]amino]butyl]-3,6-dioxo-2-piperazinyl]butyl]amino]carbonyl]butyl]- [ACD/Index Name]
N-{(2S)-5-[(Diaminomethylen)amino]-1-[(4-{(2S,5S)-5-[4-({4-[(diaminomethylen)amino]butanoyl}amino)butyl]-3,6-dioxo-2-piperazinyl}butyl)amino]-1-oxo-2-pentanyl}benzamid [German] [ACD/IUPAC Name]
N-{(2S)-5-[(Diaminomethylene)amino]-1-[(4-{(2S,5S)-5-[4-({4-[(diaminomethylene)amino]butanoyl}amino)butyl]-3,6-dioxo-2-piperazinyl}butyl)amino]-1-oxo-2-pentanyl}benzamide [ACD/IUPAC Name]
N-{(2S)-5-[(Diaminométhylène)amino]-1-[(4-{(2S,5S)-5-[4-({4-[(diaminométhylène)amino]butanoyl}amino)butyl]-3,6-dioxo-2-pipérazinyl}butyl)amino]-1-oxo-2-pentanyl}benzamide [French] [ACD/IUPAC Name]
N2-benzoyl-N-{4-[(2S,5S)-5-{4-[(4-carbamimidamidobutanoyl)amino]butyl}-3,6-dioxopiperazin-2-yl]butyl}-L-argininamide
CHEMBL180281
N-[4-Guanidino-1-((S)-4-{(S)-5-[4-((S)-4-guanidino-butyrylamino)-butyl]-3-oxo-6-oxo-piperazin-2-yl}-butylcarbamoyl)-butyl]-benzamide

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: 1.649
Molar Refractivity: 169.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -5.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 274 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 61.4±7.0 dyne/cm
Molar Volume: 463.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement