2-{(3S)-3-[(Benzylsulfonyl)Amino]-2-Oxo-1-Piperidinyl}-N-{(2S)-1-[(3R)-1-Carbamimidoyl-3-Piperidinyl]-3-Oxo-2-Propanyl}Acetamide

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Properties Simple | Detailed

Formula C23H34N6O5S
IUPAC Name 2-[(3s)-3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-n-[(1s)-1-[[(3r)-1-carbamimidoyl-3-piperidyl]methyl]-2-oxo-ethyl]acetamide
Molecular Mass 506.618 g·mol−1
Heat of Formation -762.8 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 598.37 Å 3
Surface Area 470.28 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-[[(3r)-1-amidino-3-piperidyl]methyl]-2-keto-ethyl]-2-[(3s)-3-(benzylsulfonylamino)-2-keto-1-piperidyl]acetamide
  • n-[(1s)-1-[[(3r)-1-carbamimidoyl-3-piperidinyl]methyl]-2-oxoethyl]-2-[(3s)-2-oxo-3-(phenylmethylsulfonylamino)-1-piperidinyl]acetamide
  • n-[(1s)-1-[[(3r)-1-carbamimidoyl-3-piperidyl]methyl]-2-oxo-ethyl]-2-[(3s)-2-oxo-3-(phenylmethylsulfonylamino)-1-piperidyl]acetamide
  • n-[(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxo-propan-2-yl]-2-[(3s)-2-oxo-3-(phenylmethylsulfonylamino)piperidin-1-yl]ethanamide
  • n-[(2s)-1-[(3r)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl]-2-[(3s)-2-oxo-3-(phenylmethylsulfonylamino)piperidin-1-yl]acetamide
InChIKey DATYERRDSFNBDN-AABGKKOBSA-N
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