Cyclo(D-Alloisoleucyl-L-Lysyl-L-Tyrosylglycylglycyl-L-Phenylalanyl)

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Formula C34H47N7O7
IUPAC Name (3s,6s,9r,12s)-6-(4-aminobutyl)-12-benzyl-3-[(4-hydroxyphenyl)methyl]-9-[(1r)-1-methylpropyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Mass 665.780 g·mol−1
Heat of Formation -1278.0 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 829.71 Å 3
Surface Area 646.1 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
InChIKey STCPTJKVQFCSCB-NBDMISRVSA-N
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