N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(Diaminomethylene)Amino]Methyl}Cyclohexyl)Carbonyl]-D-Alanyl}-2-Azetidinyl]Carbonyl}-D-Tyrosyl-N~6~-(Diaminomethylene)-L-Lysinamide

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Properties Simple | Detailed

Formula C38H61N11O6
IUPAC Name (2s)-n-[(1r)-2-[[(1s)-1-carbamoyl-5-guanidino-pentyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-[(2r)-3-cyclohexyl-2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]propanoyl]azetidine-2-carboxamide
Molecular Mass 767.961 g·mol−1
Heat of Formation -1043.8 ± 16.7 kJ·mol−1
Dipole Moment 10.47 ± 1.08 D
Volume 976.89 Å 3
Surface Area 759.77 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey PCCHJIAHIWBHDQ-CNXMXSPQSA-N
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