(1R)-3-Methyl-1-{[N-(Morpholin-4-Ylcarbonyl)-3-(1-Naphthyl)-D-Alanyl]Amino}Butylboronic Acid

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Properties Simple | Detailed

Formula C23H32BN3O5
IUPAC Name [3-methyl-1-[[2-(morpholine-4-carbonylamino)-3-(1-naphthyl)propanoyl]amino]butyl]boronic acid
Molecular Mass 441.328 g·mol−1
Heat of Formation -1117.6 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 543.8 Å 3
Surface Area 439.22 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-3-methyl-1-[[(2r)-2-(morpholin-4-ylcarbonylamino)-3-naphthalen-1-yl-propanoyl]amino]butyl]boronic acid
  • [(1r)-3-methyl-1-[[(2r)-2-(morpholine-4-carbonylamino)-3-(1-naphthyl)propanoyl]amino]butyl]boronic acid
  • [(1r)-3-methyl-1-[[(2r)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid
  • [(1r)-3-methyl-1-[[(2r)-2-[(morpholino-oxomethyl)amino]-3-(1-naphthyl)-1-oxopropyl]amino]butyl]boronic acid
  • boronic acid, [1-[[3-(1-naphthalenyl)-2-[(4-morpholinyl carbonyl)amino]-1-oxopropyl]amino]-3-methylbutyl]-, d-(s)-
  • n-(4-morpholine)carbonyl-b-(1-naphthyl)-l-alanine-l-leucine boronic acid
InChIKey MQMHIOPMTAJOHV-RTWAWAEBSA-N
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