ChemSpider 2D Image | N-[Cyclopropyl({[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}amino)acetyl]-2-methyl-D-tryptophylmethionine | C30H43N5O5S

N-[Cyclopropyl({[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}amino)acetyl]-2-methyl-D-tryptophylmethionine

  • Molecular FormulaC30H43N5O5S
  • Average mass585.758 Da
  • Monoisotopic mass585.298462 Da
  • ChemSpider ID23166842

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

Methionine, N-[2-cyclopropyl-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]amino]acetyl]-2-methyl-D-tryptophyl- [ACD/Index Name]
N-[2-Cyclopropyl-2-({[(2R,6S)-2,6-diméthyl-1-pipéridinyl]carbonyl}amino)acétyl]-2-méthyl-D-tryptophylméthionine [French] [ACD/IUPAC Name]
N-[Cyclopropyl({[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}amino)acetyl]-2-methyl-D-tryptophylmethionin [German] [ACD/IUPAC Name]
N-[Cyclopropyl({[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl}amino)acetyl]-2-methyl-D-tryptophylmethionine [ACD/IUPAC Name]
N-[cyclopropyl({[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonyl}amino)acetyl]-2-methyl-D-tryptophylmethionine
2-[(R)-2-{2-Cyclopropyl-2-[((2R,6S)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-acetylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307936/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 956.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.3±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 9.33
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 464.1±3.0 cm3

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