N-(Butylsulfonyl)-D-Seryl-N-(4-Carbamimidoylbenzyl)-L-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C18H29N5O5S
IUPAC Name (2r)-2-(butylsulfonylamino)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide
Molecular Mass 427.518 g·mol−1
Heat of Formation -833.8 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 515.36 Å 3
Surface Area 455.7 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(butylsulfonylamino)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxo-ethyl]-3-hydroxy-propanamide
  • (2r)-2-(butylsulfonylamino)-n-[(1s)-2-[(4-carbamimidoylphenyl)methylamino]-1-methyl-2-oxoethyl]-3-hydroxypropanamide
  • (2r)-2-(butylsulfonylamino)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxo-propan-2-yl]-3-hydroxy-propanamide
  • (2r)-2-(butylsulfonylamino)-n-[(2s)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]-3-hydroxypropanamide
  • (2r)-n-[(1s)-2-[(4-amidinobenzyl)amino]-2-keto-1-methyl-ethyl]-2-(butylsulfonylamino)-3-hydroxy-propionamide
InChIKey GDNHYCQJIXDFDC-SWLSCSKDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N