ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3-({[3-(4-carbamimidamidobutyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}amino)-L-alanine | C21H30N6O6

N-[(Benzyloxy)carbonyl]-3-({[3-(4-carbamimidamidobutyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}amino)-L-alanine

  • Molecular FormulaC21H30N6O6
  • Average mass462.500 Da
  • Monoisotopic mass462.222687 Da
  • ChemSpider ID24681573

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Alanine, 3-[[2-[3-[4-[(aminoiminomethyl)amino]butyl]-4,5-dihydro-5-isoxazolyl]acetyl]amino]-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-({[3-(4-carbamimidamidobutyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}amino)-L-alanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-({[3-(4-carbamimidamidobutyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl}amino)-L-alanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3-({2-[3-(4-carbamimidamidobutyl)-4,5-dihydro-1,2-oxazol-5-yl]acétyl}amino)-L-alanine [French] [ACD/IUPAC Name]
CHEMBL173433

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: 1.629
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 327.8±7.0 cm3

Click to predict properties on the Chemicalize site


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