(1Z,3R)-1-Diazonio-3-[(N-{5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}-D-Phenylalanyl)Amino]-1-Buten-2-Olate

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Formula C23H30N6O4S
IUPAC Name [(3r)-3-[[(2r)-2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-phenyl-propanoyl]amino]-2-oxo-butyl]-λ1-azanyl-azanide
Molecular Mass 486.587 g·mol−1
Heat of Formation -469.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 590.47 Å 3
Surface Area 471.47 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey QZMMICCPVJYJJW-CFAFBKJWSA-N
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