Found 12 results

Search term: MF = 'C_{30}H_{51}N_{5}O_{9}'
ChemSpider 2D Image | Methyl N-(3-{[N-(isobutoxycarbonyl)-L-valyl-L-prolyl]amino}-2-oxohexanoyl)glycyl-L-isoleucinate | C30H51N5O9

Methyl N-(3-{[N-(isobutoxycarbonyl)-L-valyl-L-prolyl]amino}-2-oxohexanoyl)glycyl-L-isoleucinate

  • Molecular FormulaC30H51N5O9
  • Average mass625.754 Da
  • Monoisotopic mass625.368652 Da
  • ChemSpider ID23261795

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Isoleucine, N-[3-[[[(2S)-1-[(2S)-3-methyl-2-[[(2-methylpropoxy)carbonyl]amino]-1-oxobutyl]-2-pyrrolidinyl]carbonyl]amino]-1,2-dioxohexyl]glycyl-, methyl ester [ACD/Index Name]
Methyl N-(3-{[N-(isobutoxycarbonyl)-L-valyl-L-prolyl]amino}-2-oxohexanoyl)glycyl-L-isoleucinate [ACD/IUPAC Name]
methyl N-[3-({N-[(2-methylpropoxy)carbonyl]-L-valyl-L-prolyl}amino)-2-oxohexanoyl]glycyl-L-isoleucinate
Methyl-N-(3-{[N-(isobutoxycarbonyl)-L-valyl-L-prolyl]amino}-2-oxohexanoyl)glycyl-L-isoleucinat [German] [ACD/IUPAC Name]
N-(3-{[N-(Isobutoxycarbonyl)-L-valyl-L-prolyl]amino}-2-oxohexanoyl)glycyl-L-isoleucinate de méthyle [French] [ACD/IUPAC Name]
(S)-2-[2-(3-{[(S)-1-((S)-2-Isobutoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2-oxo-hexanoylamino)-acetylamino]-3-methyl-pentanoic acid (S)-methyl ester
P3-capped α-ketoamide inhibitor 19

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.503
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.93
ACD/KOC (pH 5.5): 357.59
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.90
ACD/KOC (pH 7.4): 357.15
Polar Surface Area: 189 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 541.3±3.0 cm3

Click to predict properties on the Chemicalize site


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