Found 1 result

Search term: CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)P(O)(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(3-Carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide | C22H32N3O8P

N-(3-Carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide

  • Molecular FormulaC22H32N3O8P
  • Average mass497.478 Da
  • Monoisotopic mass497.192688 Da
  • ChemSpider ID59051701

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-(3-carboxy-1-oxopropyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]- [ACD/Index Name]
N-(3-Carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-valyl-N-[(1S)-2-phényl-1-phosphonoéthyl]-L-prolinamide [French] [ACD/IUPAC Name]

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: 1.575
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 364.7±3.0 cm3

Click to predict properties on the Chemicalize site


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