ChemSpider 2D Image | (3R)-3-({N-[(Adamantan-2-yloxy)carbonyl]-alpha-methyl-D-tryptophyl}amino)-4-[4-amino(3,5-~3~H_2_)phenyl]butanoic acid | C33H38T2N4O5

(3R)-3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)-4-[4-amino(3,5-3H2)phenyl]butanoic acid

  • Molecular FormulaC33H38T2N4O5
  • Average mass576.711 Da
  • Monoisotopic mass576.316345 Da
  • ChemSpider ID23173185

  • defined stereocentres - 2 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)-4-[4-amino(3,5-3H2)phenyl]butanoic acid [ACD/IUPAC Name]
(3R)-3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyl-D-tryptophyl}amino)-4-[4-amino(3,5-3H2)phenyl]butansäure [German] [ACD/IUPAC Name]
(3R)-4-[4-amino(3,5-3H2)phenyl]-3-({α-methyl-N-[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]-D-tryptophyl}amino)butanoic acid
Acide (3R)-3-({N-[(adamantan-2-yloxy)carbonyl]-α-méthyl-D-tryptophyl}amino)-4-[4-amino(3,5-3H2)phényl]butanoïque [French] [ACD/IUPAC Name]
Benzene-3,5-t2-butanoic acid, 4-amino-β-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-, (βR)- [ACD/Index Name]
(3R)-3-[(2R)-2-{[(adamantan-2-yloxy)carbonyl]amino}-3-(1H-indol-3-yl)-2-methylpropanamido]-4-(4-amino-3,5-dihydrogeniophenyl)butanoic acid
(R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-(4-amino-phenyl)-butyric acid

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

PD-140376 [DBID]

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

Density:
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 66.59
ACD/KOC (pH 5.5): 292.36
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 5.65
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

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