N-Methyl-N-{2-[(2-Naphthylsulfonyl)Amino]-5-[(2-Naphthylsulfonyl)Oxy]Benzoyl}-L-Aspartic Acid

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Properties Simple | Detailed

Formula C32H26N2O10S2
IUPAC Name (2s)-2-[methyl-[2-(2-naphthylsulfonylamino)-5-(2-naphthylsulfonyloxy)benzoyl]amino]butanedioic acid
Molecular Mass 662.686 g·mol−1
Heat of Formation -1367.9 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 698.34 Å 3
Surface Area 473.23 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[methyl-[2-(2-naphthylsulfonylamino)-5-(2-naphthylsulfonyloxy)benzoyl]amino]butanedioic acid
  • (2s)-2-[methyl-[2-(2-naphthylsulfonylamino)-5-(2-naphthylsulfonyloxy)benzoyl]amino]succinic acid
  • (2s)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxy-phenyl]carbonyl-amino]butanedioic acid
  • (2s)-2-[methyl-[2-(naphthalen-2-ylsulfonylamino)-5-naphthalen-2-ylsulfonyloxybenzoyl]amino]butanedioic acid
  • (2s)-2-[methyl-[[2-(2-naphthylsulfonylamino)-5-(2-naphthylsulfonyloxy)phenyl]-oxomethyl]amino]butanedioic acid
  • (s)-2-{methyl-[2-(naphthalene-2-sulfonylamino)-5-(naphthalene-2-sulfonyloxy)-benzoyl]-amino}-succinic acid
  • tav
InChIKey JOAALZBSMWLOPQ-LJAQVGFWSA-N
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