3-{(2S)-3-(4-Acetyl-1-Piperazinyl)-2-[(2-Naphthylsulfonyl)Amino]-3-Oxopropyl}Benzenecarboximidamide

Molecule SVG Image

Properties Simple | Detailed

Formula C26H29N5O4S
IUPAC Name 3-[(2s)-3-(4-acetylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine
Molecular Mass 507.605 g·mol−1
Heat of Formation -403.3 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 596.49 Å 3
Surface Area 430.92 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s)-3-(4-acetyl-1-piperazinyl)-2-(2-naphthylsulfonylamino)-3-oxopropyl]benzamidine
  • 3-[(2s)-3-(4-acetylpiperazin-1-yl)-2-(2-naphthylsulfonylamino)-3-oxo-propyl]benzamidine
  • 3-[(2s)-3-(4-acetylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxopropyl]benzenecarboximidamide
  • 3-[(2s)-3-(4-acetylpiperazin-1-yl)-3-keto-2-(2-naphthylsulfonylamino)propyl]benzamidine
  • 3-[(2s)-3-(4-ethanoylpiperazin-1-yl)-2-(naphthalen-2-ylsulfonylamino)-3-oxo-propyl]benzenecarboximidamide
  • fd4
  • n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)-4-acetyl-piperazine
InChIKey ZUWBXGHMVKDMQO-DEOSSOPVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N