N-(Methylsulfonyl)-D-Phenylalanyl-N-[(1-Carbamimidoyl-4-Piperidinyl)Methyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C22H35N6O4S
IUPAC Name [azaniumylidene-[4-[[[(2s)-1-[(2r)-2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]methyl]-1-piperidyl]methyl]azanide
Molecular Mass 479.616 g·mol−1
Heat of Formation -634.8 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 573.57 Å 3
Surface Area 469.48 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1-amidino-4-piperidyl)methyl]-1-[(2r)-2-methanesulfonamido-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[(2r)-2-methanesulfonamido-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(1-carbamimidoyl-4-piperidyl)methyl]-1-[(2r)-2-methanesulfonamido-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2r)-2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2r)-2-methanesulfonamido-3-phenylpropanoyl]pyrrolidine-2-carboxamide
InChIKey UCVAQBJLJIKTFJ-MOPGFXCFSA-N
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