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

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Properties Simple | Detailed

Formula C21H19Cl2NO7
IUPAC Name (4s)-4-(benzyloxycarbonylamino)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-hexanoic acid
Molecular Mass 468.284 g·mol−1
Heat of Formation -1151.0 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 502.37 Å 3
Surface Area 435.23 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(benzyloxycarbonylamino)-6-(2,6-dichlorobenzoyl)oxy-5-keto-hexanoic acid
  • (4s)-6-(2,6-dichlorobenzoyl)oxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
  • (4s)-6-(2,6-dichlorophenyl)carbonyloxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid
  • (4s)-6-[(2,6-dichlorophenyl)-oxomethoxy]-5-oxo-4-[[oxo-(phenylmethoxy)methyl]amino]hexanoic acid
  • alpha-((2,6-dichlorobenzoyl)oxy)methyl n-benzyloxycarbonyl-alpha-amino-gamma-carboxypropyl ketone
  • n-benzoxycarbonylaspartylmethyl 2,6-dichlorobenzoate
  • n-benzyloxycarbonyl-3-amino-5-carboxy-2-oxopent-1-yl 2,6-dichlorobenzoate
  • z-6aa 2,6-diclbza
  • z-asp-ch2oc(o)-2,6-cl2ph
CAS Number(s)
  • 153088-75-6
InChIKey PJUJOVPKUAZVRY-INIZCTEOSA-N
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Elements H C N O Cl