N-(Benzylsulfonyl)-L-Leucyl-N-{4-[(Diaminomethylene)Amino]Butyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C23H38N6O4S
IUPAC Name (2s)-1-[(2s)-2-(benzylsulfonylamino)-4-methyl-pentanoyl]-n-(4-guanidinobutyl)pyrrolidine-2-carboxamide
Molecular Mass 494.651 g·mol−1
Heat of Formation -696.2 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 612.69 Å 3
Surface Area 516.4 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-(benzylsulfonylamino)-4-methyl-pentanoyl]-n-(4-guanidinobutyl)pyrrolidine-2-carboxamide
  • (2s)-n-(4-guanidinobutyl)-1-[(2s)-4-methyl-1-oxo-2-(phenylmethylsulfonylamino)pentyl]-2-pyrrolidinecarboxamide
  • (2s)-n-(4-guanidinobutyl)-1-[(2s)-4-methyl-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
  • (2s)-n-[4-(diaminomethylideneamino)butyl]-1-[(2s)-4-methyl-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide
  • 1-guanidino-4-(n-phenylmethanesulfonyl-l-leucyl-l-prolylamino)butane
  • n-(benzylsulfonyl)-l-leucyl-n-(4-{[amino(imino)methyl]amino}butyl)-l-prolinamide
  • ra8
InChIKey DSVCYWOHJLRGMK-PMACEKPBSA-N
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