ChemSpider 2D Image | (2R)-2-Amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphenyl)butanamide | C21H27N5O3

(2R)-2-Amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphenyl)butanamide

  • Molecular FormulaC21H27N5O3
  • Average mass397.471 Da
  • Monoisotopic mass397.211395 Da
  • ChemSpider ID35035747
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-2-Amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphenyl)butanamid [German] [ACD/IUPAC Name]
(2R)-2-Amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphenyl)butanamide [ACD/IUPAC Name]
(2R)-2-Amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxo-2-propanyl}-4-(4-hydroxyphényl)butanamide [French] [ACD/IUPAC Name]
(2r)-2-Amino-N-{(2s)-1-[(4-Carbamimidoylbenzyl)amino]-1-Oxopropan-2-Yl}-4-(4-Hydroxyphenyl)butanamide
Benzenebutanamide, α-amino-N-[(1S)-2-[[[4-(aminoiminomethyl)phenyl]methyl]amino]-1-methyl-2-oxoethyl]-4-hydroxy-, (αR)- [ACD/Index Name]
BZY

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 304.2±7.0 cm3

Click to predict properties on the Chemicalize site






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