3-(~131~I)Iodotyrosyl-N-{1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}Prolinamide

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Properties Simple | Detailed

Formula C21H30ClIN6O4
IUPAC Name (2r)-1-[(2s)-2-amino-3-(4-hydroxy-3-(131i)iodanyl-phenyl)propanoyl]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
Molecular Mass 596.860 g·mol−1
Heat of Formation -583.7 ± 16.7 kJ·mol−1
Dipole Moment 10.68 ± 1.08 D
Volume 603.39 Å 3
Surface Area 463.41 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey DRUDCIXYRLXCIP-HNCKYQOCSA-N
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