ChemSpider 2D Image | 2-Bromo-N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]-L-norleucine | C30H42BrN5O5

2-Bromo-N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]-L-norleucine

  • Molecular FormulaC30H42BrN5O5
  • Average mass632.589 Da
  • Monoisotopic mass631.236938 Da
  • ChemSpider ID117434
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

2-Brom-N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]-L-norleucin [German] [ACD/IUPAC Name]
2-Bromo-N-{[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]-L-norleucine [ACD/IUPAC Name]
2-Bromo-N-{[(2R,6S)-2,6-diméthyl-1-pipéridinyl]carbonyl}-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacétyl]-L-norleucine [French] [ACD/IUPAC Name]
L-Norleucine, 2-bromo-N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]-L-tryptophyl-N-[(2S)-2-amino-2-cyclopropylacetyl]- [ACD/Index Name]
(2S)-2-[(2S)-N-[(2S)-2-AMINO-2-CYCLOPROPYLACETYL]-3-(2-BROMO-1H-INDOL-3-YL)-2-[(2R,6S)-2,6-DIMETHYLPIPERIDINE-1-CARBONYLAMINO]PROPANAMIDO]HEXANOIC ACID
166735-10-0 [RN]
N-cis-2,6-Dimethylpiperidinocarbonyl-2-cyclopropylglycyl-2-bromotryptophanyl-norleucine

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

BQ 928 [DBID]
BQ-928 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 851.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 468.5±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 14.53
ACD/KOC (pH 5.5): 46.03
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 8.95
ACD/KOC (pH 7.4): 28.34
Polar Surface Area: 149 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 459.8±3.0 cm3

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