Found 12 results

Search term: MF = 'C_{30}H_{51}N_{5}O_{9}'
ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide | C30H51N5O9

N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide

  • Molecular FormulaC30H51N5O9
  • Average mass625.754 Da
  • Monoisotopic mass625.368652 Da
  • ChemSpider ID23296124

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-seryl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]-2-buten-1-yl]- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-seryl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-seryl-L-valyl-N-{(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-penten-2-yl}-L-leucinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-séryl-L-valyl-N-{(2S,3E)-5-éthoxy-5-oxo-1-[(3S)-2-oxo-3-pyrrolidinyl]-3-pentén-2-yl}-L-leucinamide [French] [ACD/IUPAC Name]
(S,E)-ethyl 4-((S)-2-((S)-2-((S)-2-(tert-butoxycarbonyl)-3-hydroxypropanamido)-3-methylbutanamido)-4-methylpentanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate
ethyl (6S,9S,12S,15S,16E)-6-(hydroxymethyl)-2,2-dimethyl-12-(2-methylpropyl)-4,7,10,13-tetraoxo-15-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-9-(propan-2-yl)-3-oxa-5,8,11,14-tetraazaoctadec-16-en-18-oate
  • Miscellaneous

    • Chemical Class:

      A tripeptide that is L-seryl-L-valyl-L-leucine in which the amino group at the N-terminal is substituted by a tert-butoxycarbonyl group and the carboxy group at the C-terminal is substituted by a {(2S ,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}amino group. It is a 3C-like protease inhibitor of MERS-CoV and SARS-CoV. ChEBI CHEBI:149679

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

Density: 1.2±0.1 g/cm3
Boiling Point: 912.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.6±6.0 kJ/mol
Flash Point: 505.6±34.3 °C
Index of Refraction: 1.509
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 128.82
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.23
ACD/KOC (pH 7.4): 128.77
Polar Surface Area: 201 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 542.0±3.0 cm3

Click to predict properties on the Chemicalize site


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