N-{(3S)-1-[(2-{[(1S)-2-Amino-2-Oxo-1-Phenylethyl]Amino}-2-Oxoethyl)Amino]-1,2-Dioxo-3-Hexanyl}-N~2~-{(2S)-2-Cyclohexyl-2-[(Isobutoxycarbonyl)Amino]Acetyl}-L-Leucinamide

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Properties Simple | Detailed

Formula C35H54N6O8
IUPAC Name isobutyl n-[(1s)-2-[[(1s)-1-[[(1s)-1-[2-[[2-[[(1s)-2-amino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butyl]carbamoyl]-3-methyl-butyl]amino]-1-cyclohexyl-2-oxo-ethyl]carbamate
Molecular Mass 686.839 g·mol−1
Heat of Formation -1644.6 ± 16.7 kJ·mol−1
Dipole Moment 1.28 ± 1.08 D
Volume 868.59 Å 3
Surface Area 706.03 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • ({1-[1-carbamoyl-phenyl-methyl)-carbamoyl]-methyl}-aminooxalyl)-butylcarbamoyl)-3-methyl-butylcarbamoyl)-cyclohexyl-methyl)-carbamic acid isobutyl ester
  • 2-methylpropyl n-[(1s)-2-[[(2s)-1-[[(3s)-1-[[2-[[(1s)-2-amino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1,2-dioxo-hexan-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-1-cyclohexyl-2-oxo-ethyl]carbamate
  • 2-methylpropyl n-[(1s)-2-[[(2s)-1-[[(3s)-1-[[2-[[(1s)-2-amino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
  • n-[(1s)-2-[[(1s)-1-[[(1s)-1-[2-[[2-[[(1s)-2-amino-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butyl]carbamoyl]-3-methyl-butyl]amino]-1-cyclohexyl-2-keto-ethyl]carbamic acid isobutyl ester
InChIKey CSOCTFLGSKTNFD-DZXSPZCNSA-N
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