Found 1 result

Search term: OPOYAWWWOKBVEB-UJDBECHCSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{4-methoxy-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0~2,6~]dec-4-yl]butyl}-L-prolinamide | C37H50BN3O7

N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{4-methoxy-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamide

  • Molecular FormulaC37H50BN3O7
  • Average mass659.620 Da
  • Monoisotopic mass659.374207 Da
  • ChemSpider ID23133783
  • defined stereocentres - 4 of 7 defined stereocentres


More details:






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

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-N-[1-[(3aS,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{4-methoxy-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phenylalanyl-N-{4-methoxy-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-yl]butyl}-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-phénylalanyl-N-{4-méthoxy-1-[(2S,6R)-2,9,9-triméthyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]déc-4-yl]butyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-phenylalanyl-N-{4-methoxy-1-[(3aS,7aR)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}-L-prolinamide
benzyl N-[(2S)-1-[(2S)-2-({4-methoxy-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl}carbamoyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 820.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.2±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 180.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 115 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 541.6±5.0 cm3

Click to predict properties on the Chemicalize site