2-[{4-[(2S)-2-Acetamido-3-Oxo-3-(Pentylamino)Propyl]-1-Naphthyl}(Carboxycarbonyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C29H31N3O7
IUPAC Name 2-[[4-[(2s)-2-acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl]-oxalo-amino]benzoic acid
Molecular Mass 533.572 g·mol−1
Heat of Formation -1099.6 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 630.87 Å 3
Surface Area 516.17 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[4-[(2s)-2-acetamido-3-(amylamino)-3-keto-propyl]-1-naphthyl]-oxalo-amino]benzoic acid
  • 2-[[4-[(2s)-2-acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl]-oxalo-amino]benzoic acid
  • 2-[[4-[(2s)-2-acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl]-oxaloamino]benzoic acid
  • 2-[[4-[(2s)-2-acetamido-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl]-(carboxycarbonyl)amino]benzoic acid
  • 2-[[4-[(2s)-2-acetamido-3-oxo-3-(pentylamino)propyl]naphthalen-1-yl]-oxaloamino]benzoic acid
  • 2-{[4-(2-acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
  • compound 12, n-acetyl-4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-n-pentyl-1-napthylalaniamide
InChIKey UESXELNYBIOROE-QHCPKHFHSA-N
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