Cyclo(L-Alanylglycyl-L-Valyl-L-Lysyl-L-Tyrosyl)

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Formula C25H38N6O6
IUPAC Name (3s,6s,9s,12s)-9-(4-aminobutyl)-6-[(4-hydroxyphenyl)methyl]-12-isopropyl-3-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
Molecular Mass 518.606 g·mol−1
Heat of Formation -1126.5 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 650.53 Å 3
Surface Area 505.67 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12s)-9-(4-aminobutyl)-6-(4-hydroxybenzyl)-12-isopropyl-3-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
  • (3s,6s,9s,12s)-9-(4-aminobutyl)-6-[(4-hydroxyphenyl)methyl]-12-isopropyl-3-methyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
  • (3s,6s,9s,12s)-9-(4-aminobutyl)-6-[(4-hydroxyphenyl)methyl]-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
InChIKey UGXIEHVKQAMBQN-QTWZMDIBSA-N
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