Methyl 4-Bromo-N-[8-(Hydroxyamino)-8-Oxooctanoyl]-L-Phenylalaninate

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Properties Simple | Detailed

Formula C18H25BrN2O5
IUPAC Name methyl (2s)-3-(4-bromophenyl)-2-[[8-(hydroxyamino)-8-oxo-octanoyl]amino]propanoate
Molecular Mass 429.306 g·mol−1
Heat of Formation -794.7 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 464.4 Å 3
Surface Area 407.93 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(4-bromophenyl)-2-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]propanoic acid methyl ester
  • (2s)-3-(4-bromophenyl)-2-[[8-(hydroxyamino)-8-keto-octanoyl]amino]propionic acid methyl ester
  • methyl (2s)-3-(4-bromophenyl)-2-[[8-(hydroxyamino)-8-oxo-octanoyl]amino]propanoate
  • methyl (2s)-3-(4-bromophenyl)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]propanoate
InChIKey UPYGSQPRAHMDPD-HNNXBMFYSA-N
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Elements H C O Br N