(E)-N-[4-(Aminomethyl)-1,1-Dioxidotetrahydro-2H-Thiopyran-4-Yl]-3-(1-Methylcyclopentyl)-N~2~-{1-[(Phenylsulfonyl)Amino]Ethylidene}-L-Alaninamide

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Properties Simple | Detailed

Formula C23H36N4O5S2
IUPAC Name (2s)-n-[4-(aminomethyl)-1,1-dioxo-thian-4-yl]-2-[[(e)-n-(benzenesulfonyl)-c-methyl-carbonimidoyl]amino]-3-(1-methylcyclopentyl)propanamide
Molecular Mass 512.686 g·mol−1
Heat of Formation -917.0 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 612.01 Å 3
Surface Area 425.23 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[4-(aminomethyl)-1,1-diketo-thian-4-yl]-3-(1-methylcyclopentyl)-2-[1-(phenylsulfonylamino)ethylideneamino]propionamide
  • (2s)-n-[4-(aminomethyl)-1,1-dioxo-4-thianyl]-3-(1-methylcyclopentyl)-2-[1-(phenylsulfonylamino)ethylideneamino]propanamide
  • (2s)-n-[4-(aminomethyl)-1,1-dioxo-thian-4-yl]-3-(1-methylcyclopentyl)-2-[1-(phenylsulfonylamino)ethylideneamino]propanamide
  • (2s)-n-[4-(aminomethyl)-1,1-dioxothian-4-yl]-3-(1-methylcyclopentyl)-2-[1-(phenylsulfonylamino)ethylideneamino]propanamide
  • n-[4-(aminomethyl)-1,1-dioxidotetrahydro-2h-thiopyran-4-yl]-3-(1-methylcyclopentyl)-n~2~-[(1e)-n-(phenylsulfonyl)ethanimidoyl]-l-alaninamide
InChIKey HHATUZWPRPHWDY-FQEVSTJZSA-N
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