N-[(2S,3S)-3-Amino-1-(3-Thienyl)-2-Heptanyl]-2-({[(1S,2S)-2-Methylcyclopropyl]Methyl}Amino)-6-[Methyl(Methylsulfonyl)Amino]Isonicotinamide

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Properties Simple | Detailed

Formula C24H37N5O3S2
IUPAC Name n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-[[(1s,2s)-2-methylcyclopropyl]methylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
Molecular Mass 507.712 g·mol−1
Heat of Formation -369.6 ± 16.7 kJ·mol−1
Dipole Moment 8.09 ± 1.08 D
Volume 634.54 Å 3
Surface Area 528.88 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-(mesyl-methyl-amino)-6-[[(1s,2s)-2-methylcyclopropyl]methylamino]isonicotinamide
  • n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-[[(1s,2s)-2-methylcyclopropyl]methylamino]-6-(methyl-methylsulfonyl-amino)pyridine-4-carboxamide
  • n-[(1s,2s)-2-amino-1-(3-thienylmethyl)hexyl]-2-[[(1s,2s)-2-methylcyclopropyl]methylamino]-6-(methyl-methylsulfonylamino)-4-pyridinecarboxamide
  • n-[(2s,3s)-3-amino-1-thiophen-3-yl-heptan-2-yl]-2-[[(1s,2s)-2-methylcyclopropyl]methylamino]-6-(methyl-methylsulfonyl-amino)pyridine-4-carboxamide
  • n-[(2s,3s)-3-amino-1-thiophen-3-ylheptan-2-yl]-2-[[(1s,2s)-2-methylcyclopropyl]methylamino]-6-(methyl-methylsulfonylamino)pyridine-4-carboxamide
  • qin
InChIKey MSSOOXCWRUWADA-CZGNIMDHSA-N
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