(4R)-4-{[(Benzyloxy)Carbonyl]Amino}-6-[(2,6-Dichlorobenzoyl)Oxy]-5-Oxohexanoic Acid

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Properties Simple | Detailed

Formula C21H19Cl2NO7
IUPAC Name (4r)-4-(benzyloxycarbonylamino)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-hexanoic acid
Molecular Mass 468.284 g·mol−1
Heat of Formation -1140.3 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 503.25 Å 3
Surface Area 435.31 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(benzyloxycarbonylamino)-6-(2,6-dichlorobenzoyl)oxy-5-keto-hexanoic acid
  • (4r)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
  • (4r)-6-(2,6-dichlorophenyl)carbonyloxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
  • (4r)-6-[(2,6-dichlorophenyl)-oxomethoxy]-5-oxo-4-[[oxo-(phenylmethoxy)methyl]amino]hexanoic acid
InChIKey PJUJOVPKUAZVRY-MRXNPFEDSA-N
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Elements H C N O Cl