(E)-[(2S,4R)-1-[(2S)-2-(Cyclopentoxycarbonylamino)-3,3-Dimethyl-Butanoyl]-4-(4H-Isoquinolin-2-Ium-4-Id-1-Yloxy)Pyrrolidine-2-Carbonyl]-[3-[(5-Hydroxy-1,3,2-Dioxaborinan-2-Yl)Oxy]Propylidene]Ammonium

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Properties Simple | Detailed

Formula C32H44BN4O9
IUPAC Name (e)-[(2s,4r)-1-[(2s)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(4h-isoquinolin-2-ium-4-id-1-yloxy)pyrrolidine-2-carbonyl]-[3-[(5-hydroxy-1,3,2-dioxaborinan-2-yl)oxy]propylidene]ammonium
Molecular Mass 639.524 g·mol−1
Heat of Formation -1871.4 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 761.73 Å 3
Surface Area 595.0 Å 2
Point Group Symmetry C1
InChIKey MSXWUFQOFQGEEP-GYUKIKGESA-N
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