N-[(5S)-5-{[(4-Aminophenyl)Sulfonyl](Isobutyl)Amino}-6-Hydroxyhexyl]-Nalpha-(Methoxycarbonyl)-β-Phenyl-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C33H44N4O6S
IUPAC Name methyl n-[(1s)-1-[[(5s)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
Molecular Mass 624.791 g·mol−1
Heat of Formation -929.9 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 761.23 Å 3
Surface Area 584.64 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • ((1s)-1-{(5s)-5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester
  • methyl n-[(1s)-1-[[(5s)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-di(phenyl)ethyl]carbamate
  • methyl n-[(2s)-1-[[(5s)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxy-hexyl]amino]-1-oxo-3,3-di(phenyl)propan-2-yl]carbamate
  • methyl n-[(2s)-1-[[(5s)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-di(phenyl)propan-2-yl]carbamate
  • mx-100
  • n-[(1s)-1-[[(5s)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-di(phenyl)ethyl]carbamic acid methyl ester
  • n-[(1s)-1-[[[(5s)-5-[(4-aminophenyl)sulfonyl-isobutylamino]-6-hydroxyhexyl]amino]-oxomethyl]-2,2-di(phenyl)ethyl]carbamic acid methyl ester
InChIKey QAHLFXYLXBBCPS-IZEXYCQBSA-N
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