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Search term: XLFVGGLDVJXBRJ-SDHOMARFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxo-2-piperazinyl]butyl}-L-argininamide | C32H53N11O6

N2-[(Benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxo-2-piperazinyl]butyl}-L-argininamide

  • Molecular FormulaC32H53N11O6
  • Average mass687.833 Da
  • Monoisotopic mass687.418030 Da
  • ChemSpider ID23246139

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[4-[(2S,5S)-5-[4-[[5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]butyl]-3,6-dioxo-2-piperazinyl]butyl]amino]carbonyl]butyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxo-2-piperazinyl]butyl}-L-argininamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxo-2-piperazinyl]butyl}-L-argininamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxo-2-pipérazinyl]butyl}-L-argininamide [French] [ACD/IUPAC Name]
N2-[(benzyloxy)carbonyl]-N-{4-[(2S,5S)-5-{4-[(5-carbamimidamidopentanoyl)amino]butyl}-3,6-dioxopiperazin-2-yl]butyl}-L-argininamide
[(S)-4-Guanidino-1-((S)-4-{(S)-5-[4-(5-guanidino-pentanoylamino)-butyl]-3-oxo-6-oxo-piperazin-2-yl}-butylcarbamoyl)-butyl]-carbamic acid benzyl ester
CHEMBL181327

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: 1.634
Molar Refractivity: 179.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 13
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -3.06
ACD/LogD (pH 5.5): -5.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 279 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 502.2±7.0 cm3

Click to predict properties on the Chemicalize site


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