3-[(5-{[(2S)-2-Acetamido-3-{4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-1-Naphthyl}Propanoyl]Amino}Pentyl)Oxy]-2-Naphthoic Acid

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Properties Simple | Detailed

Formula C40H37N3O10
IUPAC Name 3-[5-[[(2s)-2-acetamido-3-[4-(2-carboxy-n-oxalo-anilino)-1-naphthyl]propanoyl]amino]pentoxy]naphthalene-2-carboxylic acid
Molecular Mass 719.736 g·mol−1
Heat of Formation -1421.4 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 825.11 Å 3
Surface Area 677.19 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • 3-({5-[(n-acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-l-alanyl)amino]pentyl}oxy)-2-naphthoic acid
  • 3-[5-[[(2s)-2-acetamido-3-[4-[(2-carboxyphenyl)-oxalo-amino]-1-naphthyl]propanoyl]amino]pentoxy]-2-naphthoic acid
  • 3-[5-[[(2s)-2-acetamido-3-[4-[(2-carboxyphenyl)-oxalo-amino]-1-naphthyl]propanoyl]amino]pentoxy]naphthalene-2-carboxylic acid
  • 3-[5-[[(2s)-2-acetamido-3-[4-[(2-carboxyphenyl)-oxaloamino]-1-naphthyl]-1-oxopropyl]amino]pentoxy]-2-naphthalenecarboxylic acid
  • 3-[5-[[(2s)-2-acetamido-3-[4-[(2-carboxyphenyl)-oxaloamino]naphthalen-1-yl]propanoyl]amino]pentoxy]naphthalene-2-carboxylic acid
  • 3-[5-[[(2s)-2-acetamido-3-[4-[carboxycarbonyl-(2-carboxyphenyl)amino]naphthalen-1-yl]propanoyl]amino]pentoxy]naphthalene-2-carboxylic acid
  • compound 23
InChIKey URRKGBLRIVECAH-YTTGMZPUSA-N
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