Tert-Butyl N-[[1-[(3S,5S)-5-[(2S)-2-[(R)-Amino(Hydroxy)Methyl]Pyrrolidine-1-Carbonyl]-1-(4-Phenylbutanoyl)Pyrrolidin-3-Yl]-3-Aza-1-Azonia-2-Azanidacyclopenta-3,5-Dien-4-Yl]Methyl]Carbamate

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Properties Simple | Detailed

Formula C28H41N7O5
IUPAC Name tert-butyl n-[[1-[(3s,5s)-5-[(2s)-2-[(r)-amino(hydroxy)methyl]pyrrolidine-1-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triazol-4-yl]methyl]carbamate
Molecular Mass 555.669 g·mol−1
Heat of Formation -808.5 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 678.01 Å 3
Surface Area 533.77 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
InChIKey MVZCEONBTBQGTK-KELBGUDLSA-N
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