Found 176 results

Search term: MF = 'C_{33}H_{29}N_{5}O_{4}'
ChemSpider 2D Image | 3-(1-Naphthyl)-N-(9H-xanthen-9-ylcarbonyl)-D-alanyl-D-histidinamide | C33H29N5O4

3-(1-Naphthyl)-N-(9H-xanthen-9-ylcarbonyl)-D-alanyl-D-histidinamide

  • Molecular FormulaC33H29N5O4
  • Average mass559.615 Da
  • Monoisotopic mass559.221924 Da
  • ChemSpider ID431815

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(1-Naphthyl)-N-(9H-xanthen-9-ylcarbonyl)-D-alanyl-D-histidinamid [German] [ACD/IUPAC Name]
3-(1-Naphthyl)-N-(9H-xanthen-9-ylcarbonyl)-D-alanyl-D-histidinamide [ACD/IUPAC Name]
3-(1-Naphtyl)-N-(9H-xanthén-9-ylcarbonyl)-D-alanyl-D-histidinamide [French] [ACD/IUPAC Name]
D-Histidinamide, 3-(1-naphthalenyl)-N-(9H-xanthen-9-ylcarbonyl)-D-alanyl- [ACD/Index Name]
N-[(2R)-1-{[(2R)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino}-3-(naphthalen-1-yl)-1-oxopropan-2-yl]-9H-xanthene-9-carboxamide (non-preferred name)
9H-Xanthene-9-carboxylic acid {(R)-1-[(R)-1-carbamoyl-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-naphthalen-1-yl-ethyl}-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL347709/

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

AIDS122812 [DBID]
AIDS-122812 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 992.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.9±3.0 kJ/mol
Flash Point: 553.8±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 12.10
ACD/KOC (pH 5.5): 74.36
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 295.42
ACD/KOC (pH 7.4): 1815.26
Polar Surface Area: 139 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 414.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement