(2S,5S,8S,13S,Z)-2-Cinnamyl-5-(Cyclohexylmethyl)-3,6,9,15,18-Pentaoxo-8-(3-(Pyrazine-2-Carboxamido)Propyl)-1,4,7,10,14-Pentaazacyclooctadec-16-Ene-13-Carboxamide

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Formula C38H49N9O7
IUPAC Name (2s,5s,8s,13s,16z)-2-[(e)-cinnamyl]-5-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-[3-(pyrazine-2-carbonylamino)propyl]-1,4,7,10,14-pentazacyclooctadec-16-ene-13-carboxamide
Molecular Mass 743.852 g·mol−1
Heat of Formation -1061.6 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 898.75 Å 3
Surface Area 681.38 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey WWKVFSPICQNZHM-ILFUNVDESA-N
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