N-[(5S,9S,10S,13S)-9-Hydroxy-5,10-Diisobutyl-4,7,12,16-Tetraoxo-3,6,11,17-Tetraazabicyclo[17.3.1]Tricosa-1(23),19,21-Trien-13-Yl]-3-(1-Naphthyl)-2-(1-Naphthylmethyl)Propanamide

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Properties Simple | Detailed

Formula C51H61N5O6
IUPAC Name n-[(7s,10s,11s,15s)-11-hydroxy-10,15-diisobutyl-4,8,13,16-tetraoxo-3,9,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-7-yl]-3-(1-naphthyl)-2-(1-naphthylmethyl)propanamide
Molecular Mass 840.060 g·mol−1
Heat of Formation -1047.3 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 1061.47 Å 3
Surface Area 760.52 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(5s,9s,10s,13s)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-13-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
  • n-[(5s,9s,10s,13s)-9-hydroxy-5,10-diisobutyl-4,7,12,16-tetraketo-3,6,11,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-13-yl]-3-(1-naphthyl)-2-(1-naphthylmethyl)propionamide
  • n-[(5s,9s,10s,13s)-9-hydroxy-5,10-diisobutyl-4,7,12,16-tetraoxo-3,6,11,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-13-yl]-3-(1-naphthyl)-2-(1-naphthylmethyl)propanamide
InChIKey KFCMUWOMPCWWCH-AXYJRABVSA-N
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