ChemSpider 2D Image | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | C35H54N6O8

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER

  • Molecular FormulaC35H54N6O8
  • Average mass686.839 Da
  • Monoisotopic mass686.400330 Da
  • ChemSpider ID9789292

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
Carbamic acid, N-[(1S,4S,7S,14S)-15-amino-1-cyclohexyl-4-(2-methylpropyl)-2,5,8,9,12,15-hexaoxo-14-phenyl-7-propyl-3,6,10,13-tetraazapentadec-1-yl]-, 2-methylpropyl ester [ACD/Index Name]
N-{(3S)-1-[(2-{[(1S)-2-Amino-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-N2-{(2S)-2-cyclohexyl-2-[(isobutoxycarbonyl)amino]acetyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-{(3S)-1-[(2-{[(1S)-2-Amino-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-1,2-dioxo-3-hexanyl}-N2-{(2S)-2-cyclohexyl-2-[(isobutoxycarbonyl)amino]acetyl}-L-leucinamide [ACD/IUPAC Name]
N-{(3S)-1-[(2-{[(1S)-2-Amino-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-1,2-dioxo-3-hexanyl}-N2-{(2S)-2-cyclohexyl-2-[(isobutoxycarbonyl)amino]acétyl}-L-leucinamide [French] [ACD/IUPAC Name]
UNH

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: 1.534
Molar Refractivity: 182.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.66
ACD/KOC (pH 5.5): 1023.25
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.52
ACD/KOC (pH 7.4): 1022.01
Polar Surface Area: 215 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 585.6±3.0 cm3

Click to predict properties on the Chemicalize site


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