Found 1 result

Search term: TVHPSMGZMVWCMG-ZPGRZCPFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxybenzoyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide | C43H49N3O9

1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxybenzoyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide

  • Molecular FormulaC43H49N3O9
  • Average mass751.864 Da
  • Monoisotopic mass751.346863 Da
  • ChemSpider ID8208590

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxybenzoyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxybenzoyl]amino}-2-hydroxy-4-phenylbutyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-Acétyl-N-[2-(1,3-benzodioxol-5-yl)éthyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-diméthoxybenzoyl]amino}-2-hydroxy-4-phénylbutyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxybenzoyl]amino}-2-hydroxy-4-phenylbutyl]piperidine-4-carboxamide
4-Piperidinecarboxamide, 1-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-[[3,5-dimethoxy-4-(phenylmethoxy)benzoyl]amino]-2-hydroxy-4-phenylbutyl]- [ACD/Index Name]
1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-[(2S,3S)-3-(4-benzyloxy-3,5-dimethoxy-benzoylamino)-2-hydroxy-4-phenyl-butyl]-amide
CHEMBL284534
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL284534/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 927.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.4±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 206.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2096.20
ACD/KOC (pH 5.5): 8300.01
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2096.20
ACD/KOC (pH 7.4): 8299.99
Polar Surface Area: 136 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 598.1±3.0 cm3

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