{4-[(9S,10S,11E,14S,18S)-18-(2-Amino-2-Oxoethyl)-9-(Carboxymethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Phenyl}Malonic Acid

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Formula C41H46N4O10
IUPAC Name 2-[4-[(9s,10s,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]propanedioic acid
Molecular Mass 754.825 g·mol−1
Heat of Formation 3716.4 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 754.13 Å 3
Surface Area 582.28 Å 2
HOMO Energy -7.74 ± 0.55 eV
LUMO Energy -2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(9s,10s,11e,14s,18s)-18-(2-amino-2-keto-ethyl)-9-(carboxymethyl)-8,17,20-triketo-14-(1-naphthylmethyl)-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]malonic acid
  • 2-[4-[(9s,10s,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]propanedioic acid
  • 2-[4-[(9s,10s,11e,14s,18s)-18-(2-amino-2-oxo-ethyl)-9-(carboxymethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]propanedioic acid
  • 2-[4-[(9s,10s,11e,14s,18s)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl]propanedioic acid
InChIKey FYIJOFSDJMOTGX-SPRVXXEPSA-N
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