1-Cyclopentyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)Benzyl]Amino}-2-Butanyl]-6-Oxo-5-(2-Oxo-1-Pyrrolidinyl)-1,6-Dihydro-3-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C33H37F3N4O4
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1-cyclopentyl-6-oxo-5-(2-oxopyrrolidin-1-yl)pyridin-1-ium-5-ylium-3-carboxamide
Molecular Mass 610.666 g·mol−1
Heat of Formation -1201.4 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 717.58 Å 3
Surface Area 566.06 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey QKLJNYJRYSKKKP-LMSSTIIKSA-N
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