Methyl 1-[3-Carbamimidoyl-N-(2-Naphthylsulfonyl)-L-Phenylalanyl]-4-Piperidinecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30N4O5S
IUPAC Name methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate
Molecular Mass 522.616 g·mol−1
Heat of Formation -633.6 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 605.18 Å 3
Surface Area 435.73 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid methyl ester
  • 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester
  • fd2
  • methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate
  • methyl 1-[(2s)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate
  • n-alpha-(2-naphthylsulfonyl)-n(3-amidino-l-phenylalaninyl)isopipecolinic acid methyl ester
InChIKey JJLGQWCKMHPBEB-DEOSSOPVSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N