(3R)-4-({3-[(2-Acetoxyethyl)Amino]-3-Oxopropyl}Amino)-3-Hydroxy-2,2-Dimethyl-4-Oxobutyl Pivalate

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Properties Simple | Detailed

Formula C18H32N2O7
IUPAC Name [(3r)-4-[[3-(2-acetoxyethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] 2,2-dimethylpropanoate
Molecular Mass 388.456 g·mol−1
Heat of Formation -1513.5 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 493.71 Å 3
Surface Area 428.38 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [(3r)-4-[[3-(2-acetoxyethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
  • 2,2-dimethylpropionic acid [(3r)-4-[[3-(2-acetoxyethylamino)-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butyl] ester
  • [(3r)-4-[[3-(2-acetoxyethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] 2,2-dimethylpropanoate
  • [(3r)-4-[[3-(2-acetyloxyethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] 2,2-dimethylpropanoate
  • [(3r)-4-[[3-(2-acetyloxyethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 2,2-dimethylpropanoate
  • pantothenyl-aminoethanol-acetate pivalic acid
InChIKey MILJVOHYMMUVQM-AWEZNQCLSA-N
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