N-[(2S)-5-(Carbamimidamidooxy)-1-Oxo-1-{[(1E,3S)-5-Phenyl-1-(2-Pyrimidinylsulfonyl)-1-Penten-3-Yl]Amino}-2-Pentanyl]-4-Methyl-1-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C27H39N9O5S+
IUPAC Name n-[(1s)-4-guanidinooxy-1-[[(e,1s)-1-(2-phenylethyl)-3-pyrimidin-2-ylsulfonyl-allyl]carbamoyl]butyl]-4-methyl-piperazine-1-carboxamide
Molecular Mass 601.721 g·mol−1
Heat of Formation -343.4 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 726.31 Å 3
Surface Area 620.4 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey FGWKPELIWHWYFZ-OBYRPWEKSA-N
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