Found 67 results

Search term: MF = 'C_{34}H_{38}N_{4}O_{8}'
ChemSpider 2D Image | N-[(Adamantan-2-yloxy)carbonyl]-alpha-methyl-D-tryptophyl-(4R)-4-(4-nitrophenoxy)-D-proline | C34H38N4O8

N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl-(4R)-4-(4-nitrophenoxy)-D-proline

  • Molecular FormulaC34H38N4O8
  • Average mass630.688 Da
  • Monoisotopic mass630.268982 Da
  • ChemSpider ID8826992

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

D-Proline, α-methyl-N-[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]-D-tryptophyl-4-(4-nitrophenoxy)-, (4R)- [ACD/Index Name]
N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl-(4R)-4-(4-nitrophenoxy)-D-prolin [German] [ACD/IUPAC Name]
N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl-(4R)-4-(4-nitrophenoxy)-D-proline [ACD/IUPAC Name]
N-[(Adamantan-2-yloxy)carbonyl]-α-méthyl-D-tryptophyl-(4R)-4-(4-nitrophénoxy)-D-proline [French] [ACD/IUPAC Name]
α-methyl-N-[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]-D-tryptophyl-(4R)-4-(4-nitrophenoxy)-D-proline
(2R,4R)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(4-nitro-phenoxy)-pyrrolidine-2-carboxylic acid
CHEMBL423119
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL423119/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 899.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 497.6±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 166.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 34.42
ACD/KOC (pH 5.5): 91.55
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 5.13
Polar Surface Area: 167 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

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